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Showing metabocard for alpha,beta-Methylene ATP (HMDB0248246)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 01:28:28 UTC
Update Date2021-09-26 22:58:26 UTC
HMDB IDHMDB0248246
Secondary Accession NumbersNone
Metabolite Identification
Common Namealpha,beta-Methylene ATP
Descriptionalpha,beta-Methylene ATP, also known as a,b-methylene ATP or AMPCPP, belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. Based on a literature review very few articles have been published on alpha,beta-Methylene ATP. This compound has been identified in human blood as reported by (PMID: 31557052 ). Alpha,beta-methylene atp is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically alpha,beta-Methylene ATP is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0248246 (alpha,beta-Methylene ATP)


  Mrv1652309112103282D          

 31 33  0  0  0  0            999 V2000
    2.0701    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    3.1729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0865   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -1.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -1.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -0.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8505   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -1.1584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2716   -1.6433    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7565   -0.9759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9391   -2.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6927   -1.7927    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3572   -1.0390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0283   -2.5464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4464   -1.4572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1138   -1.9421    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7813   -2.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5988   -1.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6289   -2.6095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7867   -2.3108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -2.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9115   -0.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 18 29  1  0  0  0  0
 13 30  1  0  0  0  0
 12 31  1  0  0  0  0
M  END
Download

3D MOL for HMDB0248246 (alpha,beta-Methylene ATP)

HMDB0248246
     RDKit          3D
alpha,beta-Methylene ATP
 49 51  0  0  0  0  0  0  0  0999 V2000
   -7.2005    2.7645   -0.8417 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6228    1.8082    0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1245    1.4880    1.2257 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5804    0.5850    2.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4553   -0.0393    1.6785 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8786    0.2230    0.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4538    1.1531   -0.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7004    1.2291   -1.4389 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6617    0.3834   -1.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7632   -0.2479   -0.1344 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9047   -1.2249    0.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7009   -0.6550    0.8403 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7210   -1.0495   -0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6531   -0.8981    0.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5652   -1.3221   -0.4548 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1570   -1.1850    0.1342 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.1097   -1.5436    1.6003 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2163   -2.1542   -0.7252 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417    0.5537   -0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4529    0.6451    0.0103 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.9826   -0.5898    0.6719 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0752    0.8569   -1.5474 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8915    1.9954    0.9237 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2998    2.6768    0.2931 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.9204    3.4410   -0.9559 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3798    1.4588   -0.1644 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0665    3.6557    1.4264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0852   -2.5179   -0.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9107   -3.2379    0.9120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5809   -2.3780   -0.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7878   -2.1469   -1.8130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7325    3.6809   -1.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0949    2.5884   -1.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0475    0.3621    3.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8555    0.1767   -2.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3664   -1.6594    1.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7956   -0.5751   -1.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8294    0.1907    0.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7710   -1.4835    1.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7983   -2.4298   -1.5842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2486    0.9301   -1.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1876    1.0983    0.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9592    0.0283   -2.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7350    0.9515    0.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4478    4.2133    1.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5726   -2.9548   -1.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7518   -3.4414    1.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0792   -3.3218   -0.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9603   -2.0820   -2.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 24 27  1  0
 13 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
  7  2  1  0
 30 11  1  0
 10  6  1  0
  1 32  1  0
  1 33  1  0
  4 34  1  0
  9 35  1  0
 11 36  1  0
 13 37  1  0
 14 38  1  0
 14 39  1  0
 18 40  1  0
 19 41  1  0
 19 42  1  0
 22 43  1  0
 26 44  1  0
 27 45  1  0
 28 46  1  0
 29 47  1  0
 30 48  1  0
 31 49  1  0
M  END
Download

3D SDF for HMDB0248246 (alpha,beta-Methylene ATP)


  Mrv1652309112103282D          

 31 33  0  0  0  0            999 V2000
    2.0701    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    3.1729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0865   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -1.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -1.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -0.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8505   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -1.1584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2716   -1.6433    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7565   -0.9759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9391   -2.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6927   -1.7927    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3572   -1.0390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0283   -2.5464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4464   -1.4572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1138   -1.9421    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7813   -2.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5988   -1.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6289   -2.6095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7867   -2.3108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -2.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9115   -0.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 18 29  1  0  0  0  0
 13 30  1  0  0  0  0
 12 31  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0248246

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC=NC2=C1N=CN2C1OC(COP(O)(=O)CP(O)(=O)OP(O)(O)=O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)

> <INCHI_KEY>
CAWZRIXWFRFUQB-UHFFFAOYSA-N

> <FORMULA>
C11H18N5O12P3

> <MOLECULAR_WEIGHT>
505.209

> <EXACT_MASS>
505.016482034

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
39.94000978021222

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl](hydroxy)phosphoryl}oxy)phosphonic acid

> <ALOGPS_LOGP>
-1.10

> <JCHEM_LOGP>
-6.045828885256562

> <ALOGPS_LOGS>
-2.07

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
1.9468847742511408

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.0259149996981476

> <JCHEM_PKA_STRONGEST_BASIC>
4.0010187190586315

> <JCHEM_POLAR_SURFACE_AREA>
269.8999999999999

> <JCHEM_REFRACTIVITY>
98.16799999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.29e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
({[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}methyl(hydroxy)phosphoryl)oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0248246 (alpha,beta-Methylene ATP)

HMDB0248246
     RDKit          3D
alpha,beta-Methylene ATP
 49 51  0  0  0  0  0  0  0  0999 V2000
   -7.2005    2.7645   -0.8417 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6228    1.8082    0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1245    1.4880    1.2257 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5804    0.5850    2.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4553   -0.0393    1.6785 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8786    0.2230    0.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4538    1.1531   -0.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7004    1.2291   -1.4389 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6617    0.3834   -1.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7632   -0.2479   -0.1344 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9047   -1.2249    0.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7009   -0.6550    0.8403 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7210   -1.0495   -0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6531   -0.8981    0.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5652   -1.3221   -0.4548 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1570   -1.1850    0.1342 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.1097   -1.5436    1.6003 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2163   -2.1542   -0.7252 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417    0.5537   -0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4529    0.6451    0.0103 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.9826   -0.5898    0.6719 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0752    0.8569   -1.5474 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8915    1.9954    0.9237 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2998    2.6768    0.2931 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.9204    3.4410   -0.9559 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3798    1.4588   -0.1644 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0665    3.6557    1.4264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0852   -2.5179   -0.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9107   -3.2379    0.9120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5809   -2.3780   -0.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7878   -2.1469   -1.8130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7325    3.6809   -1.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0949    2.5884   -1.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0475    0.3621    3.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8555    0.1767   -2.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3664   -1.6594    1.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7956   -0.5751   -1.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8294    0.1907    0.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7710   -1.4835    1.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7983   -2.4298   -1.5842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2486    0.9301   -1.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1876    1.0983    0.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9592    0.0283   -2.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7350    0.9515    0.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4478    4.2133    1.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5726   -2.9548   -1.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7518   -3.4414    1.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0792   -3.3218   -0.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9603   -2.0820   -2.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 24 27  1  0
 13 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
  7  2  1  0
 30 11  1  0
 10  6  1  0
  1 32  1  0
  1 33  1  0
  4 34  1  0
  9 35  1  0
 11 36  1  0
 13 37  1  0
 14 38  1  0
 14 39  1  0
 18 40  1  0
 19 41  1  0
 19 42  1  0
 22 43  1  0
 26 44  1  0
 27 45  1  0
 28 46  1  0
 29 47  1  0
 30 48  1  0
 31 49  1  0
M  END
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PDB for HMDB0248246 (alpha,beta-Methylene ATP)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       3.864   2.073   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       2.530   1.303   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       1.197   2.073   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.197   3.613   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.530   4.383   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       3.864   3.613   0.000  0.00  0.00           N+0
HETATM    7  N   UNK     0       2.530   5.923   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0      -0.268   4.089   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      -1.173   2.843   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      -0.268   1.597   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -0.744   0.132   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.161  -1.114   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.744  -2.359   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.208  -1.884   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -2.208  -0.344   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -3.454  -2.789   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -4.861  -2.162   0.000  0.00  0.00           O+0
HETATM   18  P   UNK     0      -6.107  -3.068   0.000  0.00  0.00           P+0
HETATM   19  O   UNK     0      -7.012  -1.822   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -7.353  -3.973   0.000  0.00  0.00           C+0
HETATM   21  P   UNK     0      -8.760  -3.346   0.000  0.00  0.00           P+0
HETATM   22  O   UNK     0      -8.133  -1.940   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -9.386  -4.753   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0     -10.167  -2.720   0.000  0.00  0.00           O+0
HETATM   25  P   UNK     0     -11.413  -3.625   0.000  0.00  0.00           P+0
HETATM   26  O   UNK     0     -12.658  -4.530   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0     -12.318  -2.379   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0     -10.507  -4.871   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -5.202  -4.313   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -0.268  -3.824   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       1.701  -1.114   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5    8                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5                                                            
CONECT    8    4    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9    3   11                                                  
CONECT   11   10   12   15                                                  
CONECT   12   11   13   31                                                  
CONECT   13   12   14   30                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14   11                                                       
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20   29                                             
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   23   24                                             
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   21   25                                                       
CONECT   25   24   26   27   28                                             
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   25                                                            
CONECT   29   18                                                            
CONECT   30   13                                                            
CONECT   31   12                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   66    0
END
Download

3D PDB for HMDB0248246 (alpha,beta-Methylene ATP)

COMPND    HMDB0248246
HETATM    1  N1  UNL     1      -7.201   2.765  -0.842  1.00  0.00           N  
HETATM    2  C1  UNL     1      -6.623   1.808   0.040  1.00  0.00           C  
HETATM    3  N2  UNL     1      -7.125   1.488   1.226  1.00  0.00           N  
HETATM    4  C2  UNL     1      -6.580   0.585   2.060  1.00  0.00           C  
HETATM    5  N3  UNL     1      -5.455  -0.039   1.678  1.00  0.00           N  
HETATM    6  C3  UNL     1      -4.879   0.223   0.495  1.00  0.00           C  
HETATM    7  C4  UNL     1      -5.454   1.153  -0.346  1.00  0.00           C  
HETATM    8  N4  UNL     1      -4.700   1.229  -1.439  1.00  0.00           N  
HETATM    9  C5  UNL     1      -3.662   0.383  -1.335  1.00  0.00           C  
HETATM   10  N5  UNL     1      -3.763  -0.248  -0.134  1.00  0.00           N  
HETATM   11  C6  UNL     1      -2.905  -1.225   0.425  1.00  0.00           C  
HETATM   12  O1  UNL     1      -1.701  -0.655   0.840  1.00  0.00           O  
HETATM   13  C7  UNL     1      -0.721  -1.049  -0.061  1.00  0.00           C  
HETATM   14  C8  UNL     1       0.653  -0.898   0.535  1.00  0.00           C  
HETATM   15  O2  UNL     1       1.565  -1.322  -0.455  1.00  0.00           O  
HETATM   16  P1  UNL     1       3.157  -1.185   0.134  1.00  0.00           P  
HETATM   17  O3  UNL     1       3.110  -1.544   1.600  1.00  0.00           O  
HETATM   18  O4  UNL     1       4.216  -2.154  -0.725  1.00  0.00           O  
HETATM   19  C9  UNL     1       3.642   0.554  -0.039  1.00  0.00           C  
HETATM   20  P2  UNL     1       5.453   0.645   0.010  1.00  0.00           P  
HETATM   21  O5  UNL     1       5.983  -0.590   0.672  1.00  0.00           O  
HETATM   22  O6  UNL     1       6.075   0.857  -1.547  1.00  0.00           O  
HETATM   23  O7  UNL     1       5.892   1.995   0.924  1.00  0.00           O  
HETATM   24  P3  UNL     1       7.300   2.677   0.293  1.00  0.00           P  
HETATM   25  O8  UNL     1       6.920   3.441  -0.956  1.00  0.00           O  
HETATM   26  O9  UNL     1       8.380   1.459  -0.164  1.00  0.00           O  
HETATM   27  O10 UNL     1       8.067   3.656   1.426  1.00  0.00           O  
HETATM   28  C10 UNL     1      -1.085  -2.518  -0.261  1.00  0.00           C  
HETATM   29  O11 UNL     1      -0.911  -3.238   0.912  1.00  0.00           O  
HETATM   30  C11 UNL     1      -2.581  -2.378  -0.478  1.00  0.00           C  
HETATM   31  O12 UNL     1      -2.788  -2.147  -1.813  1.00  0.00           O  
HETATM   32  H1  UNL     1      -6.732   3.681  -1.018  1.00  0.00           H  
HETATM   33  H2  UNL     1      -8.095   2.588  -1.335  1.00  0.00           H  
HETATM   34  H3  UNL     1      -7.048   0.362   3.036  1.00  0.00           H  
HETATM   35  H4  UNL     1      -2.855   0.177  -2.016  1.00  0.00           H  
HETATM   36  H5  UNL     1      -3.366  -1.659   1.334  1.00  0.00           H  
HETATM   37  H6  UNL     1      -0.796  -0.575  -1.043  1.00  0.00           H  
HETATM   38  H7  UNL     1       0.829   0.191   0.661  1.00  0.00           H  
HETATM   39  H8  UNL     1       0.771  -1.483   1.451  1.00  0.00           H  
HETATM   40  H9  UNL     1       3.798  -2.430  -1.584  1.00  0.00           H  
HETATM   41  H10 UNL     1       3.249   0.930  -1.005  1.00  0.00           H  
HETATM   42  H11 UNL     1       3.188   1.098   0.823  1.00  0.00           H  
HETATM   43  H12 UNL     1       5.959   0.028  -2.076  1.00  0.00           H  
HETATM   44  H13 UNL     1       8.735   0.951   0.599  1.00  0.00           H  
HETATM   45  H14 UNL     1       7.448   4.213   1.953  1.00  0.00           H  
HETATM   46  H15 UNL     1      -0.573  -2.955  -1.121  1.00  0.00           H  
HETATM   47  H16 UNL     1      -1.752  -3.441   1.371  1.00  0.00           H  
HETATM   48  H17 UNL     1      -3.079  -3.322  -0.167  1.00  0.00           H  
HETATM   49  H18 UNL     1      -1.960  -2.082  -2.351  1.00  0.00           H  
CONECT    1    2   32   33
CONECT    2    3    3    7
CONECT    3    4
CONECT    4    5    5   34
CONECT    5    6
CONECT    6    7    7   10
CONECT    7    8
CONECT    8    9    9
CONECT    9   10   35
CONECT   10   11
CONECT   11   12   30   36
CONECT   12   13
CONECT   13   14   28   37
CONECT   14   15   38   39
CONECT   15   16
CONECT   16   17   17   18   19
CONECT   18   40
CONECT   19   20   41   42
CONECT   20   21   21   22   23
CONECT   22   43
CONECT   23   24
CONECT   24   25   25   26   27
CONECT   26   44
CONECT   27   45
CONECT   28   29   30   46
CONECT   29   47
CONECT   30   31   48
CONECT   31   49
END
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SMILES for HMDB0248246 (alpha,beta-Methylene ATP)

NC1=NC=NC2=C1N=CN2C1OC(COP(O)(=O)CP(O)(=O)OP(O)(O)=O)C(O)C1O
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INCHI for HMDB0248246 (alpha,beta-Methylene ATP)

InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
a,b-Methylene ATPGenerator
Α,β-methylene ATPGenerator
(.alpha.,.beta.-methylene)adenosine 5'-triphosphateHMDB
AMPCPPHMDB
APPCPHMDB
App(CH)2PHMDB
HPCPPHMDB
Adenosine 5'-(alpha,beta-methylene)triphosphateHMDB
alpha, beta-Methylene ATPHMDB
alpha,beta-MeATPHMDB
alpha,beta-MethylATPHMDB
alpha,beta-Methyleneadenosine 5'-triphosphateHMDB
alpha,beta-Methyleneadenosine 5'-triphosphate, lithium saltHMDB
Magnesium-(alpha,beta-methylene)ATPHMDB
Chemical FormulaC11H18N5O12P3
Average Molecular Weight505.209
Monoisotopic Molecular Weight505.016482034
IUPAC Name({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl](hydroxy)phosphoryl}oxy)phosphonic acid
Traditional Name({[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}methyl(hydroxy)phosphoryl)oxyphosphonic acid
CAS Registry NumberNot Available
SMILES
NC1=NC=NC2=C1N=CN2C1OC(COP(O)(=O)CP(O)(=O)OP(O)(O)=O)C(O)C1O
InChI Identifier
InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)
InChI KeyCAWZRIXWFRFUQB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
Sub ClassPurine ribonucleotides
Direct ParentPurine ribonucleoside monophosphates
Alternative Parents
Substituents
  • Purine ribonucleoside monophosphate
  • Glycosyl compound
  • N-glycosyl compound
  • 6-aminopurine
  • Pentose monosaccharide
  • Bisphosphonate
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • Monosaccharide
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Phosphonic acid ester
  • Pyrimidine
  • Imidolactam
  • Tetrahydrofuran
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Organophosphonic acid
  • Organophosphonic acid derivative
  • Secondary alcohol
  • 1,2-diol
  • Organoheterocyclic compound
  • Azacycle
  • Oxacycle
  • Organooxygen compound
  • Organophosphorus compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Primary amine
  • Organic oxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-1.1ALOGPS
logP-6ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)1.03ChemAxon
pKa (Strongest Basic)4ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count14ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area269.9 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity98.17 m³·mol⁻¹ChemAxon
Polarizability39.94 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+182.21630932474
DeepCCS[M-H]-178.530932474
DeepCCS[M-2H]-214.86230932474
DeepCCS[M+Na]+190.78130932474
AllCCS[M+H]+199.432859911
AllCCS[M+H-H2O]+197.632859911
AllCCS[M+NH4]+201.032859911
AllCCS[M+Na]+201.532859911
AllCCS[M-H]-190.832859911
AllCCS[M+Na-2H]-190.932859911
AllCCS[M+HCOO]-191.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
alpha,beta-Methylene ATPNC1=NC=NC2=C1N=CN2C1OC(COP(O)(=O)CP(O)(=O)OP(O)(O)=O)C(O)C1O4791.1Standard polar33892256
alpha,beta-Methylene ATPNC1=NC=NC2=C1N=CN2C1OC(COP(O)(=O)CP(O)(=O)OP(O)(O)=O)C(O)C1O2709.4Standard non polar33892256
alpha,beta-Methylene ATPNC1=NC=NC2=C1N=CN2C1OC(COP(O)(=O)CP(O)(=O)OP(O)(O)=O)C(O)C1O4380.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
alpha,beta-Methylene ATP,3TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C4024.2Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C3822.7Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C6505.0Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #10C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O4066.0Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #10C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O3898.6Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #10C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O6387.9Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #11C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4072.7Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #11C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3944.5Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #11C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O6391.1Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #12C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O4108.3Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #12C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O3995.2Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #12C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O6498.9Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #13C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C214025.5Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #13C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C213942.3Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #13C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C216407.1Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #14C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C214028.1Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #14C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C213923.1Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #14C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C216383.9Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #15C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4069.9Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #15C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3957.9Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #15C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C6389.6Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #16C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C214030.1Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #16C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C213932.5Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #16C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C216416.8Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C4075.7Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C3962.2Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C6393.1Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #18C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C214056.0Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #18C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C213900.2Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #18C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C216397.6Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #19C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4064.3Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #19C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3945.1Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #19C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C6402.5Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #2C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C4026.4Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #2C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C3832.1Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #2C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C6554.5Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #20C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214094.8Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #20C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C213999.1Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #20C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C216510.8Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #21C[Si](C)(C)OP(=O)(O)OP(=O)(CP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C4058.0Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #21C[Si](C)(C)OP(=O)(O)OP(=O)(CP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C4060.8Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #21C[Si](C)(C)OP(=O)(O)OP(=O)(CP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C6273.2Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #22C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)C(O)C1O4109.3Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #22C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)C(O)C1O4118.0Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #22C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)C(O)C1O6196.1Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #23C[Si](C)(C)OP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O4085.1Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #23C[Si](C)(C)OP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O4033.0Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #23C[Si](C)(C)OP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O6286.7Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #24C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O4101.7Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #24C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O4100.4Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #24C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O6227.7Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #25C[Si](C)(C)OP(=O)(CP(=O)(O)OP(=O)(O)O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O4129.2Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #25C[Si](C)(C)OP(=O)(CP(=O)(O)OP(=O)(O)O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O4151.8Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #25C[Si](C)(C)OP(=O)(CP(=O)(O)OP(=O)(O)O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O6321.2Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #26C[Si](C)(C)OP(=O)(CP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4080.4Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #26C[Si](C)(C)OP(=O)(CP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4034.5Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #26C[Si](C)(C)OP(=O)(CP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C6300.8Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #27C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O4107.5Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #27C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O4111.9Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #27C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O6222.0Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #28C[Si](C)(C)OP(=O)(CP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O)OP(=O)(O)O4136.6Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #28C[Si](C)(C)OP(=O)(CP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O)OP(=O)(O)O4175.6Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #28C[Si](C)(C)OP(=O)(CP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O)OP(=O)(O)O6317.6Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #29C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O4132.5Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #29C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O4082.8Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #29C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O6239.5Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #3C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C4017.1Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #3C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C3816.4Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #3C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C6504.8Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #30C[Si](C)(C)OP(=O)(O)OP(=O)(O)CP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O4124.2Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #30C[Si](C)(C)OP(=O)(O)OP(=O)(O)CP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O4146.1Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #30C[Si](C)(C)OP(=O)(O)OP(=O)(O)CP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O6337.1Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4069.8Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3833.1Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C6548.2Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #5C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O4037.5Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #5C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O3938.1Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #5C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O6395.8Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #6C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O4037.9Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #6C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O3917.9Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #6C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O6372.8Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4080.3Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3954.6Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O6373.7Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #8C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O4040.0Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #8C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O3932.4Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #8C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O6407.0Standard polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #9C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O4086.9Semi standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #9C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O3963.2Standard non polar33892256
alpha,beta-Methylene ATP,3TMS,isomer #9C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O6381.5Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C3951.0Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C3856.4Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C6160.7Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #10C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4020.0Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #10C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4008.0Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #10C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5913.8Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #11C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O3989.8Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #11C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O3914.3Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #11C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O6057.1Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #12C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4019.7Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #12C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3987.0Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #12C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5965.9Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #13C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O4025.6Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #13C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O4031.0Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #13C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O5990.4Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #14C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O3987.8Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #14C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O3918.2Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #14C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O6059.1Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #15C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4027.4Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #15C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3999.6Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #15C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5943.2Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #16C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O4024.5Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #16C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O4042.7Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #16C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O5954.2Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4048.2Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3971.0Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #17C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5977.9Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #18C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O4027.8Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #18C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O4021.5Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #18C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O6018.8Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #19C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C213953.5Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #19C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C213955.9Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #19C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C216042.1Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #2C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C3959.0Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #2C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C3837.9Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #2C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C6162.1Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #20C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4012.4Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #20C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4015.2Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #20C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5930.1Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #21C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C213977.9Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #21C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C213921.5Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #21C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C216068.1Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #22C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4016.7Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #22C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3993.9Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #22C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5981.6Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #23C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214018.8Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #23C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214039.7Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #23C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C216008.0Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #24C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C213978.1Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #24C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C213922.2Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #24C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C216067.9Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #25C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4022.3Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #25C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4003.7Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #25C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5954.0Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #26C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214014.3Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #26C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214045.3Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #26C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C215966.1Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #27C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4043.1Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #27C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3975.8Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #27C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5988.6Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #28C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214023.0Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #28C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214027.3Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #28C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C216030.3Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #29C[Si](C)(C)OP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O4000.2Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #29C[Si](C)(C)OP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O4020.0Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #29C[Si](C)(C)OP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O5930.2Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #3C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4021.0Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #3C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3890.5Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #3C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C6085.8Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #30C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O4042.7Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #30C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O4126.4Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #30C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O5786.4Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #31C[Si](C)(C)OP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O4060.0Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #31C[Si](C)(C)OP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O4185.1Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #31C[Si](C)(C)OP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O5796.9Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #32C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O4074.2Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #32C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O4097.6Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #32C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O5819.1Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #33C[Si](C)(C)OP(=O)(O)OP(=O)(O)CP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O)O[Si](C)(C)C4064.6Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #33C[Si](C)(C)OP(=O)(O)OP(=O)(O)CP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O)O[Si](C)(C)C4163.7Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #33C[Si](C)(C)OP(=O)(O)OP(=O)(O)CP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O)O[Si](C)(C)C5864.8Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #34C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O4069.1Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #34C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O4102.4Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #34C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O5804.2Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #35C[Si](C)(C)OP(=O)(O)OP(=O)(CP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O)O[Si](C)(C)C4070.9Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #35C[Si](C)(C)OP(=O)(O)OP(=O)(CP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O)O[Si](C)(C)C4181.9Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #35C[Si](C)(C)OP(=O)(O)OP(=O)(CP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O)O[Si](C)(C)C5826.0Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #36C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)CP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O4097.0Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #36C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)CP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O4151.4Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #36C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)CP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O5871.0Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #4C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C3959.3Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #4C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C3850.3Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #4C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C6173.7Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4017.0Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3899.4Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #5C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C6062.3Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #6C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C3982.8Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #6C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C3817.8Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #6C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C6173.6Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4010.8Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3883.4Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C6109.5Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #8C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O[Si](C)(C)C4015.8Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #8C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O[Si](C)(C)C3921.7Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #8C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O[Si](C)(C)C6147.3Standard polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #9C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O3965.6Semi standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #9C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O3948.4Standard non polar33892256
alpha,beta-Methylene ATP,4TMS,isomer #9C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O6030.6Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C3914.8Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C3847.7Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C5831.8Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #10C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O[Si](C)(C)C3971.6Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #10C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O[Si](C)(C)C3923.7Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #10C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O[Si](C)(C)C5706.8Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #11C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O3932.1Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #11C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O3912.2Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #11C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O5705.6Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #12C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3989.8Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #12C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4016.5Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #12C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5526.9Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #13C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O3993.8Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #13C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O4046.6Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #13C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O5495.3Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #14C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4007.6Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #14C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3980.8Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #14C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5587.3Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #15C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O3988.3Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #15C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O4025.2Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #15C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O5588.9Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #16C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4008.9Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #16C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3989.3Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #16C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5551.9Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #17C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O4002.1Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #17C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O4043.0Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #17C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O5527.0Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #18C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O4008.6Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #18C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O4010.4Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #18C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O5599.8Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #19C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C213926.0Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #19C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C213923.0Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #19C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C215719.1Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3973.6Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3917.0Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #2C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C5629.8Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #20C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3985.8Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #20C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4027.3Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #20C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5544.1Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #21C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C213984.4Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #21C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214058.1Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #21C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C215513.6Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #22C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4000.5Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #22C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3991.6Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #22C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5603.9Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #23C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C213983.0Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #23C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214037.8Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #23C[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C215606.0Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #24C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4005.2Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #24C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3995.5Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #24C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5563.2Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #25C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C213996.1Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #25C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214048.3Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #25C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C215538.4Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #26C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214004.5Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #26C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214018.5Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #26C[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C215610.9Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #27C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O4032.9Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #27C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O4087.6Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #27C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O5376.3Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #28C[Si](C)(C)OP(=O)(O)OP(=O)(CP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C4030.6Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #28C[Si](C)(C)OP(=O)(O)OP(=O)(CP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C4150.2Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #28C[Si](C)(C)OP(=O)(O)OP(=O)(CP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C5390.4Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #29C[Si](C)(C)OP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O4044.0Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #29C[Si](C)(C)OP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O4122.2Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #29C[Si](C)(C)OP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O5452.5Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #3C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C3930.5Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #3C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C3807.8Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #3C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C5872.1Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #30C[Si](C)(C)OP(=O)(CP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4053.1Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #30C[Si](C)(C)OP(=O)(CP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4132.9Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #30C[Si](C)(C)OP(=O)(CP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5408.7Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3970.8Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3902.2Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #4C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C5715.9Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #5C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O[Si](C)(C)C3975.5Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #5C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O[Si](C)(C)C3928.7Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #5C[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O[Si](C)(C)C5680.9Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #6C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C3930.0Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #6C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C3812.6Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #6C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C5853.1Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3980.1Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3911.9Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C5657.9Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #8C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O[Si](C)(C)C3975.1Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #8C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O[Si](C)(C)C3942.5Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #8C[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O[Si](C)(C)C5614.6Standard polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #9C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3990.9Semi standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #9C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3882.6Standard non polar33892256
alpha,beta-Methylene ATP,5TMS,isomer #9C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C5725.9Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C(C)(C)C4633.7Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C(C)(C)C4278.0Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C(C)(C)C6597.0Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O4661.3Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O4329.8Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O6509.7Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4663.3Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4438.7Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O6461.8Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C1O4645.9Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C1O4486.2Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C1O6451.2Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C214611.9Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C214386.4Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C216490.9Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C214628.1Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C214374.2Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C216490.8Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4659.7Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4446.8Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C6459.4Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C214624.1Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C214380.4Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C216494.6Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C(C)(C)C4653.0Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C(C)(C)C4444.4Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C(C)(C)C6442.5Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C214654.6Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C214339.2Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C216518.9Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4664.2Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4444.7Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C6472.4Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C(C)(C)C4622.3Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C(C)(C)C4279.1Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C(C)(C)C6617.2Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C214642.7Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C214489.5Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C216461.9Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(CP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4627.0Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(CP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4465.8Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(CP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C6361.6Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[Si](C)(C)C(C)(C)C)C(O)C1O4664.9Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[Si](C)(C)C(C)(C)C)C(O)C1O4558.0Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[Si](C)(C)C(C)(C)C)C(O)C1O6300.6Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O4659.5Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O4420.1Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OP(=O)(CP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O6411.4Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O4673.6Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O4548.4Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O6347.0Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OP(=O)(CP(=O)(O)OP(=O)(O)O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C(O)C1O4649.2Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OP(=O)(CP(=O)(O)OP(=O)(O)O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C(O)C1O4599.5Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OP(=O)(CP(=O)(O)OP(=O)(O)O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C(O)C1O6346.7Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OP(=O)(CP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4653.8Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OP(=O)(CP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4428.3Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OP(=O)(CP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C6406.8Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O4678.0Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O4558.8Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O6322.0Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OP(=O)(CP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C(O)C1O)OP(=O)(O)O4652.6Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OP(=O)(CP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C(O)C1O)OP(=O)(O)O4611.2Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OP(=O)(CP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C(O)C1O)OP(=O)(O)O6312.5Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O4700.2Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O4512.3Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O6373.8Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C(C)(C)C4634.7Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C(C)(C)C4277.0Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C(C)(C)C6598.2Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)CP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C(O)C1O4642.0Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)CP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C(O)C1O4603.0Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)CP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C(O)C1O6361.5Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4655.4Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4334.2Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C6553.9Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(COP(=O)(CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O4621.4Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(COP(=O)(CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O4375.6Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(COP(=O)(CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O6478.6Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O4636.9Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O4363.3Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(COP(=O)(CP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O6479.1Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4660.4Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4438.9Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(CP(=O)(O)OP(=O)(O)O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O6443.9Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O4629.7Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O4372.6Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C(N)N=CN=C32)C1O6485.2Standard polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O4654.6Semi standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O4442.1Standard non polar33892256
alpha,beta-Methylene ATP,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)CP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O6431.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TMS_2_17) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha,beta-Methylene ATP GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha,beta-Methylene ATP 10V, Positive-QTOFsplash10-0a4i-0100290000-0ac756e58d5c19ebff722021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha,beta-Methylene ATP 20V, Positive-QTOFsplash10-052r-0946780000-67d358973ebdceb8237d2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha,beta-Methylene ATP 40V, Positive-QTOFsplash10-000i-0910000000-b48f1fe933e095de47d92021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha,beta-Methylene ATP 10V, Negative-QTOFsplash10-0udi-0000090000-3dae03e798f82d98a0ed2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha,beta-Methylene ATP 20V, Negative-QTOFsplash10-0a6r-5910320000-489fae05f82e4d76f59b2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha,beta-Methylene ATP 40V, Negative-QTOFsplash10-0a4i-6900100000-8fbf3af4744b509d36e92021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID2993
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound3104
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]