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Showing metabocard for 2-hydroxy-dATP (HMDB0059593)

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enzymes (1) Show 1 protein
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-10-30 10:32:48 UTC
Update Date2022-03-07 03:17:33 UTC
HMDB IDHMDB0059593
Secondary Accession Numbers
  • HMDB59593
Metabolite Identification
Common Name2-hydroxy-dATP
Description2-hydroxy-dATP, also known as 2-HO-dATP or D(isogtp), belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside triphosphates. These are purine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. 2-hydroxy-dATP is a moderately basic compound (based on its pKa). A purine 2'-deoxyribonucleoside 5'-triphosphate in which the 2'-deoxyribonucleoside moiety is 2'-deoxy-2-hydroxyadenosine.
Structure
Data?1563865952
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0059593 (2-hydroxy-dATP)


  Mrv0541 10301209462D          

 34 36  0  0  0  0            999 V2000
   -0.5546    2.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4916    3.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0396    3.1994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8242    2.9445    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0396    1.8646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846   -0.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846    1.0799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846    3.9841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9027    7.8306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7503    8.0131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7202    6.6782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5879    5.4023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5577    4.0674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8335    5.9540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4745    6.1265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4054    4.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8242    2.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5678    6.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7403    5.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2352    7.3456    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0728    4.7348    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6540    6.0402    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2247    3.3285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6951    3.7593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2247    1.7355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  6  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 13 10  2  0  0  0  0
 14  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15  3  1  0  0  0  0
  6 15  1  6  0  0  0
 15  9  1  0  0  0  0
  4 16  1  1  0  0  0
 17 10  1  0  0  0  0
 25  2  1  0  0  0  0
 26  5  1  0  0  0  0
 26  6  1  0  0  0  0
 29 18  1  0  0  0  0
 29 19  1  0  0  0  0
 29 20  2  0  0  0  0
 29 27  1  0  0  0  0
 30 21  1  0  0  0  0
 30 22  2  0  0  0  0
 30 25  1  0  0  0  0
 30 28  1  0  0  0  0
 31 23  1  0  0  0  0
 31 24  2  0  0  0  0
 31 27  1  0  0  0  0
 31 28  1  0  0  0  0
  4 32  1  6  0  0  0
  5 33  1  1  0  0  0
  6 34  1  1  0  0  0
M  END
Download

3D MOL for HMDB0059593 (2-hydroxy-dATP)

HMDB0059593
     RDKit          3D
2-hydroxy-dATP
 47 49  0  0  0  0  0  0  0  0999 V2000
   -7.1048    0.6384   -1.9167 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2074    0.3199   -0.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4895   -0.6263    0.0532 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7540   -1.0098    1.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0515   -1.9793    1.9588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4824   -0.3920    1.1419 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1196    0.5386    0.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9807    0.9207   -0.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3090    1.8186   -1.4812 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0913    2.0052   -0.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9520    1.2369    0.1458 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8322    1.0107    1.0477 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6465   -0.4507    1.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270   -0.9403    0.1064 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2088   -2.0995    0.3689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0593    0.2828   -0.0555 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8745    0.2765   -1.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7670    1.3474   -0.8252 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2975    0.6339   -0.7582 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.2951   -0.7114   -1.3761 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5751    0.3843    0.9538 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5085    1.5900   -1.3276 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8950    1.3990   -0.3089 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.1018    1.2815   -1.1839 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0550    2.7372    0.6866 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7396    0.0186    0.6185 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5373   -1.3176    0.0243 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.8231   -0.9290   -0.6854 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5435   -2.2128   -1.0283 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0031   -2.3792    1.3014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7232    1.3999    0.2763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5864    1.5519   -1.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2584   -0.0583   -2.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4226   -2.0838    2.7741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3484    2.6829   -1.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8637    1.6343    1.9436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8781   -0.5072    2.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5163   -1.0494    1.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6856   -1.0515   -0.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7985   -2.8604    0.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7003    0.1250    0.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4462   -0.6272   -1.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3760    0.4934   -2.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3978   -0.5172    1.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2295    3.2119    0.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8734   -2.6677   -0.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2577   -3.0693    1.3533 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  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 19 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 23 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 27 30  1  0
 16 31  1  0
  8  2  1  0
 31 12  1  0
 11  7  1  0
  1 32  1  0
  1 33  1  0
  5 34  1  0
 10 35  1  0
 12 36  1  1
 13 37  1  0
 13 38  1  0
 14 39  1  6
 15 40  1  0
 16 41  1  1
 17 42  1  0
 17 43  1  0
 21 44  1  0
 25 45  1  0
 29 46  1  0
 30 47  1  0
M  END
Download

3D SDF for HMDB0059593 (2-hydroxy-dATP)


  Mrv0541 10301209462D          

 34 36  0  0  0  0            999 V2000
   -0.5546    2.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4916    3.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0396    3.1994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8242    2.9445    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0396    1.8646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846   -0.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846    1.0799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846    3.9841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9027    7.8306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7503    8.0131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7202    6.6782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5879    5.4023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5577    4.0674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8335    5.9540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4745    6.1265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4054    4.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8242    2.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5678    6.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7403    5.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2352    7.3456    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0728    4.7348    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6540    6.0402    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2247    3.3285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6951    3.7593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2247    1.7355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  6  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 13 10  2  0  0  0  0
 14  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15  3  1  0  0  0  0
  6 15  1  6  0  0  0
 15  9  1  0  0  0  0
  4 16  1  1  0  0  0
 17 10  1  0  0  0  0
 25  2  1  0  0  0  0
 26  5  1  0  0  0  0
 26  6  1  0  0  0  0
 29 18  1  0  0  0  0
 29 19  1  0  0  0  0
 29 20  2  0  0  0  0
 29 27  1  0  0  0  0
 30 21  1  0  0  0  0
 30 22  2  0  0  0  0
 30 25  1  0  0  0  0
 30 28  1  0  0  0  0
 31 23  1  0  0  0  0
 31 24  2  0  0  0  0
 31 27  1  0  0  0  0
 31 28  1  0  0  0  0
  4 32  1  6  0  0  0
  5 33  1  1  0  0  0
  6 34  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0059593

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=NC2=C(N)N=C(O)N=C12

> <INCHI_IDENTIFIER>
InChI=1S/C10H16N5O13P3/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1

> <INCHI_KEY>
UOACBPRDWRDEHJ-KVQBGUIXSA-N

> <FORMULA>
C10H16N5O13P3

> <MOLECULAR_WEIGHT>
507.181

> <EXACT_MASS>
506.995745159

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
38.42159848388473

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-0.44

> <JCHEM_LOGP>
-3.7246645514094996

> <ALOGPS_LOGS>
-2.11

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.511103225946711

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8199187053754846

> <JCHEM_PKA_STRONGEST_BASIC>
1.5923853040958154

> <JCHEM_POLAR_SURFACE_AREA>
279.13

> <JCHEM_REFRACTIVITY>
96.23049999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.95e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
({[(2R,3S,5R)-5-(6-amino-2-hydroxypurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0059593 (2-hydroxy-dATP)

HMDB0059593
     RDKit          3D
2-hydroxy-dATP
 47 49  0  0  0  0  0  0  0  0999 V2000
   -7.1048    0.6384   -1.9167 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2074    0.3199   -0.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4895   -0.6263    0.0532 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7540   -1.0098    1.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0515   -1.9793    1.9588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4824   -0.3920    1.1419 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1196    0.5386    0.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9807    0.9207   -0.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3090    1.8186   -1.4812 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0913    2.0052   -0.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9520    1.2369    0.1458 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8322    1.0107    1.0477 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6465   -0.4507    1.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270   -0.9403    0.1064 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2088   -2.0995    0.3689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0593    0.2828   -0.0555 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8745    0.2765   -1.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7670    1.3474   -0.8252 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2975    0.6339   -0.7582 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.2951   -0.7114   -1.3761 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5751    0.3843    0.9538 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5085    1.5900   -1.3276 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8950    1.3990   -0.3089 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.1018    1.2815   -1.1839 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0550    2.7372    0.6866 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7396    0.0186    0.6185 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5373   -1.3176    0.0243 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.8231   -0.9290   -0.6854 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5435   -2.2128   -1.0283 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0031   -2.3792    1.3014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7232    1.3999    0.2763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5864    1.5519   -1.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2584   -0.0583   -2.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4226   -2.0838    2.7741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3484    2.6829   -1.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8637    1.6343    1.9436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8781   -0.5072    2.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5163   -1.0494    1.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6856   -1.0515   -0.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7985   -2.8604    0.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7003    0.1250    0.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4462   -0.6272   -1.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3760    0.4934   -2.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3978   -0.5172    1.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2295    3.2119    0.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8734   -2.6677   -0.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2577   -3.0693    1.3533 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  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 19 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 23 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 27 30  1  0
 16 31  1  0
  8  2  1  0
 31 12  1  0
 11  7  1  0
  1 32  1  0
  1 33  1  0
  5 34  1  0
 10 35  1  0
 12 36  1  1
 13 37  1  0
 13 38  1  0
 14 39  1  6
 15 40  1  0
 16 41  1  1
 17 42  1  0
 17 43  1  0
 21 44  1  0
 25 45  1  0
 29 46  1  0
 30 47  1  0
M  END
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PDB for HMDB0059593 (2-hydroxy-dATP)

HEADER    PROTEIN                                 30-OCT-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-OCT-12         0                                  
HETATM    1  C   UNK     0      -1.035   4.726   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.651   6.402   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.370   0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.941   5.972   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.405   5.496   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.941   3.481   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       1.334  -2.310   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      -1.465  -0.476   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0       2.667   0.000   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0       1.334   2.310   0.000  0.00  0.00           N+0
HETATM   15  N   UNK     0      -1.465   2.016   0.000  0.00  0.00           N+0
HETATM   16  O   UNK     0      -1.465   7.437   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -9.152  14.617   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -7.001  14.958   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -8.811  12.466   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -4.831  10.084   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -6.641   7.592   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -5.289  11.114   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -8.352  11.436   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -4.490   7.933   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -3.405   3.956   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -6.660  12.807   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -6.982   9.743   0.000  0.00  0.00           O+0
HETATM   29  P   UNK     0      -7.906  13.712   0.000  0.00  0.00           P+0
HETATM   30  P   UNK     0      -5.736   8.838   0.000  0.00  0.00           P+0
HETATM   31  P   UNK     0      -6.821  11.275   0.000  0.00  0.00           P+0
HETATM   32  H   UNK     0      -0.419   6.213   0.000  0.00  0.00           H+0
HETATM   33  H   UNK     0      -3.164   7.017   0.000  0.00  0.00           H+0
HETATM   34  H   UNK     0      -0.419   3.240   0.000  0.00  0.00           H+0
CONECT    1    4    6                                                       
CONECT    2    5   25                                                       
CONECT    3   12   15                                                       
CONECT    4    1    5   16   32                                             
CONECT    5    2    4   26   33                                             
CONECT    6    1   15   26   34                                             
CONECT    7    8    9   12                                                  
CONECT    8    7   11   13                                                  
CONECT    9    7   14   15                                                  
CONECT   10   13   14   17                                                  
CONECT   11    8                                                            
CONECT   12    3    7                                                       
CONECT   13    8   10                                                       
CONECT   14    9   10                                                       
CONECT   15    3    6    9                                                  
CONECT   16    4                                                            
CONECT   17   10                                                            
CONECT   18   29                                                            
CONECT   19   29                                                            
CONECT   20   29                                                            
CONECT   21   30                                                            
CONECT   22   30                                                            
CONECT   23   31                                                            
CONECT   24   31                                                            
CONECT   25    2   30                                                       
CONECT   26    5    6                                                       
CONECT   27   29   31                                                       
CONECT   28   30   31                                                       
CONECT   29   18   19   20   27                                             
CONECT   30   21   22   25   28                                             
CONECT   31   23   24   27   28                                             
CONECT   32    4                                                            
CONECT   33    5                                                            
CONECT   34    6                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END
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3D PDB for HMDB0059593 (2-hydroxy-dATP)

COMPND    HMDB0059593
HETATM    1  N1  UNL     1      -7.105   0.638  -1.917  1.00  0.00           N  
HETATM    2  C1  UNL     1      -6.207   0.320  -0.883  1.00  0.00           C  
HETATM    3  N2  UNL     1      -6.490  -0.626   0.053  1.00  0.00           N  
HETATM    4  C2  UNL     1      -5.754  -1.010   1.023  1.00  0.00           C  
HETATM    5  O1  UNL     1      -6.051  -1.979   1.959  1.00  0.00           O  
HETATM    6  N3  UNL     1      -4.482  -0.392   1.142  1.00  0.00           N  
HETATM    7  C3  UNL     1      -4.120   0.539   0.277  1.00  0.00           C  
HETATM    8  C4  UNL     1      -4.981   0.921  -0.764  1.00  0.00           C  
HETATM    9  N4  UNL     1      -4.309   1.819  -1.481  1.00  0.00           N  
HETATM   10  C5  UNL     1      -3.091   2.005  -0.919  1.00  0.00           C  
HETATM   11  N5  UNL     1      -2.952   1.237   0.146  1.00  0.00           N  
HETATM   12  C6  UNL     1      -1.832   1.011   1.048  1.00  0.00           C  
HETATM   13  C7  UNL     1      -1.647  -0.451   1.396  1.00  0.00           C  
HETATM   14  C8  UNL     1      -0.927  -0.940   0.106  1.00  0.00           C  
HETATM   15  O2  UNL     1      -0.209  -2.100   0.369  1.00  0.00           O  
HETATM   16  C9  UNL     1      -0.059   0.283  -0.055  1.00  0.00           C  
HETATM   17  C10 UNL     1       0.874   0.277  -1.214  1.00  0.00           C  
HETATM   18  O3  UNL     1       1.767   1.347  -0.825  1.00  0.00           O  
HETATM   19  P1  UNL     1       3.298   0.634  -0.758  1.00  0.00           P  
HETATM   20  O4  UNL     1       3.295  -0.711  -1.376  1.00  0.00           O  
HETATM   21  O5  UNL     1       3.575   0.384   0.954  1.00  0.00           O  
HETATM   22  O6  UNL     1       4.508   1.590  -1.328  1.00  0.00           O  
HETATM   23  P2  UNL     1       5.895   1.399  -0.309  1.00  0.00           P  
HETATM   24  O7  UNL     1       7.102   1.282  -1.184  1.00  0.00           O  
HETATM   25  O8  UNL     1       6.055   2.737   0.687  1.00  0.00           O  
HETATM   26  O9  UNL     1       5.740   0.019   0.618  1.00  0.00           O  
HETATM   27  P3  UNL     1       6.537  -1.318   0.024  1.00  0.00           P  
HETATM   28  O10 UNL     1       7.823  -0.929  -0.685  1.00  0.00           O  
HETATM   29  O11 UNL     1       5.544  -2.213  -1.028  1.00  0.00           O  
HETATM   30  O12 UNL     1       7.003  -2.379   1.301  1.00  0.00           O  
HETATM   31  O13 UNL     1      -0.723   1.400   0.276  1.00  0.00           O  
HETATM   32  H1  UNL     1      -7.586   1.552  -1.925  1.00  0.00           H  
HETATM   33  H2  UNL     1      -7.258  -0.058  -2.675  1.00  0.00           H  
HETATM   34  H3  UNL     1      -5.423  -2.084   2.774  1.00  0.00           H  
HETATM   35  H4  UNL     1      -2.348   2.683  -1.287  1.00  0.00           H  
HETATM   36  H5  UNL     1      -1.864   1.634   1.944  1.00  0.00           H  
HETATM   37  H6  UNL     1      -0.878  -0.507   2.217  1.00  0.00           H  
HETATM   38  H7  UNL     1      -2.516  -1.049   1.588  1.00  0.00           H  
HETATM   39  H8  UNL     1      -1.686  -1.051  -0.655  1.00  0.00           H  
HETATM   40  H9  UNL     1      -0.798  -2.860   0.108  1.00  0.00           H  
HETATM   41  H10 UNL     1       0.700   0.125   0.848  1.00  0.00           H  
HETATM   42  H11 UNL     1       1.446  -0.627  -1.250  1.00  0.00           H  
HETATM   43  H12 UNL     1       0.376   0.493  -2.160  1.00  0.00           H  
HETATM   44  H13 UNL     1       3.398  -0.517   1.210  1.00  0.00           H  
HETATM   45  H14 UNL     1       5.230   3.212   0.895  1.00  0.00           H  
HETATM   46  H15 UNL     1       4.873  -2.668  -0.433  1.00  0.00           H  
HETATM   47  H16 UNL     1       6.258  -3.069   1.353  1.00  0.00           H  
CONECT    1    2   32   33
CONECT    2    3    3    8
CONECT    3    4
CONECT    4    5    6    6
CONECT    5   34
CONECT    6    7
CONECT    7    8    8   11
CONECT    8    9
CONECT    9   10   10
CONECT   10   11   35
CONECT   11   12
CONECT   12   13   31   36
CONECT   13   14   37   38
CONECT   14   15   16   39
CONECT   15   40
CONECT   16   17   31   41
CONECT   17   18   42   43
CONECT   18   19
CONECT   19   20   20   21   22
CONECT   21   44
CONECT   22   23
CONECT   23   24   24   25   26
CONECT   25   45
CONECT   26   27
CONECT   27   28   28   29   30
CONECT   29   46
CONECT   30   47
END
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SMILES for HMDB0059593 (2-hydroxy-dATP)

[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=NC2=C(N)N=C(O)N=C12
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INCHI for HMDB0059593 (2-hydroxy-dATP)

InChI=1S/C10H16N5O13P3/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
2'-Deoxy-2-hydroxyadenosine 5'-(tetrahydrogen triphosphate)ChEBI
2'-Deoxy-2-hydroxyadenosine triphosphateChEBI
2'-Deoxyisoguanosine triphosphateChEBI
2-HO-dATPChEBI
2-OH-dATPChEBI
D(IsoGTP)ChEBI
2-Hydroxy-2'-deoxyadenosine 5'-triphosphateKegg
2'-Deoxy-2-hydroxyadenosine 5'-(tetrahydrogen triphosphoric acid)Generator
2'-Deoxy-2-hydroxyadenosine triphosphoric acidGenerator
2'-Deoxyisoguanosine triphosphoric acidGenerator
2-Hydroxy-2'-deoxyadenosine 5'-triphosphoric acidGenerator
2-Hydroxydeoxyadenosine triphosphateHMDB
Chemical FormulaC10H16N5O13P3
Average Molecular Weight507.181
Monoisotopic Molecular Weight506.995745159
IUPAC Name({[({[(2R,3S,5R)-5-(6-amino-2-hydroxy-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Traditional Name({[(2R,3S,5R)-5-(6-amino-2-hydroxypurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
CAS Registry NumberNot Available
SMILES
[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=NC2=C(N)N=C(O)N=C12
InChI Identifier
InChI=1S/C10H16N5O13P3/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
InChI KeyUOACBPRDWRDEHJ-KVQBGUIXSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside triphosphates. These are purine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
Sub ClassPurine deoxyribonucleotides
Direct ParentPurine 2'-deoxyribonucleoside triphosphates
Alternative Parents
Substituents
  • Purine 2'-deoxyribonucleoside triphosphate
  • 6-aminopurine
  • Purinone
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • Pyrimidone
  • Monoalkyl phosphate
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Pyrimidine
  • Alkyl phosphate
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Azole
  • Imidazole
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Azacycle
  • Organic oxygen compound
  • Organonitrogen compound
  • Alcohol
  • Organic nitrogen compound
  • Organopnictogen compound
  • Organooxygen compound
  • Amine
  • Primary amine
  • Organic oxide
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
  • purine 2'-deoxyribonucleoside 5'-triphosphate (CHEBI:63208 )
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
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
Water Solubility3.95 g/LALOGPS
logP-0.44ALOGPS
logP-3.7ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)0.82ChemAxon
pKa (Strongest Basic)1.59ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count14ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area279.13 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity96.23 m³·mol⁻¹ChemAxon
Polarizability38.42 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
DarkChem[M+H]+204.58231661259
DarkChem[M-H]-198.1731661259
DeepCCS[M-2H]-201.35230932474
DeepCCS[M+Na]+176.31430932474
AllCCS[M+H]+198.432859911
AllCCS[M+H-H2O]+196.632859911
AllCCS[M+NH4]+200.132859911
AllCCS[M+Na]+200.632859911
AllCCS[M-H]-190.232859911
AllCCS[M+Na-2H]-190.432859911
AllCCS[M+HCOO]-190.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2-hydroxy-dATP[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=NC2=C(N)N=C(O)N=C124780.6Standard polar33892256
2-hydroxy-dATP[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=NC2=C(N)N=C(O)N=C123039.3Standard non polar33892256
2-hydroxy-dATP[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=NC2=C(N)N=C(O)N=C124409.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2-hydroxy-dATP,1TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O4253.3Semi standard non polar33892256
2-hydroxy-dATP,1TMS,isomer #2C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)C2=N14135.5Semi standard non polar33892256
2-hydroxy-dATP,1TMS,isomer #3C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O4271.7Semi standard non polar33892256
2-hydroxy-dATP,1TMS,isomer #4C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O4296.4Semi standard non polar33892256
2-hydroxy-dATP,1TMS,isomer #5C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O4274.0Semi standard non polar33892256
2-hydroxy-dATP,1TMS,isomer #6C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O14255.1Semi standard non polar33892256
2-hydroxy-dATP,2TMS,isomer #1C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)C2=N14057.6Semi standard non polar33892256
2-hydroxy-dATP,2TMS,isomer #10C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O4199.2Semi standard non polar33892256
2-hydroxy-dATP,2TMS,isomer #11C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O)O[Si](C)(C)C4175.7Semi standard non polar33892256
2-hydroxy-dATP,2TMS,isomer #12C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O14188.1Semi standard non polar33892256
2-hydroxy-dATP,2TMS,isomer #13C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O4192.6Semi standard non polar33892256
2-hydroxy-dATP,2TMS,isomer #14C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O14201.8Semi standard non polar33892256
2-hydroxy-dATP,2TMS,isomer #15C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O4168.7Semi standard non polar33892256
2-hydroxy-dATP,2TMS,isomer #16C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O14189.4Semi standard non polar33892256
2-hydroxy-dATP,2TMS,isomer #17C[Si](C)(C)N(C1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)[Si](C)(C)C4206.5Semi standard non polar33892256
2-hydroxy-dATP,2TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O4162.5Semi standard non polar33892256
2-hydroxy-dATP,2TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O4170.3Semi standard non polar33892256
2-hydroxy-dATP,2TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C4145.8Semi standard non polar33892256
2-hydroxy-dATP,2TMS,isomer #5C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O14161.9Semi standard non polar33892256
2-hydroxy-dATP,2TMS,isomer #6C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O3)C2=N14095.4Semi standard non polar33892256
2-hydroxy-dATP,2TMS,isomer #7C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O3)C2=N14101.9Semi standard non polar33892256
2-hydroxy-dATP,2TMS,isomer #8C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O3)C2=N14076.1Semi standard non polar33892256
2-hydroxy-dATP,2TMS,isomer #9C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O14079.6Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #1C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O3)C2=N13972.4Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #1C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O3)C2=N13718.6Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #10C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4043.2Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #10C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3774.8Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #11C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O14051.8Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #11C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13913.1Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #12C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O4063.9Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #12C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O3951.4Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #13C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O3)C2=N13986.1Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #13C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O3)C2=N13825.5Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #14C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13972.2Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #14C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13810.6Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #15C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O13994.9Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #15C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O13945.1Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #16C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13969.1Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #16C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13822.4Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #17C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13985.2Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #17C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13962.7Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #18C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O3)C2=N13973.4Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #18C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O3)C2=N13791.4Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #19C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13970.9Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #19C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13937.8Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #2C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O3)C2=N13965.7Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #2C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O3)C2=N13727.9Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #20C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)C2=N14005.2Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #20C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)C2=N13984.0Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #21C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O)O[Si](C)(C)C4076.9Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #21C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O)O[Si](C)(C)C3900.4Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #22C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O14099.2Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #22C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O14028.6Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #23C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4070.5Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #23C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3873.3Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #24C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O14088.6Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #24C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O14010.9Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #25C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O4088.2Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #25C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O4036.1Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #26C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O4076.9Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #26C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O3879.1Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #27C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O14089.7Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #27C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O14026.5Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #28C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)C[C@@H]1O4092.8Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #28C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)C[C@@H]1O4051.2Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #29C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O14085.5Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #29C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13994.0Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #3C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13947.6Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #3C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13713.3Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #30C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)C[C@@H]1O4087.6Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #30C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)C[C@@H]1O4035.3Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #4C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O13968.9Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #4C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O13851.3Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #5C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O4059.6Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #5C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3805.6Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #6C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C4052.4Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #6C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3790.9Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #7C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O14071.7Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #7C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O13918.8Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #8C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C4057.9Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #8C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3805.7Standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #9C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O14070.3Semi standard non polar33892256
2-hydroxy-dATP,3TMS,isomer #9C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13932.9Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #1C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O3)C2=N13915.8Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #1C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O3)C2=N13684.8Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #10C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O14007.2Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #10C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13918.1Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #11C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3994.0Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #11C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3720.1Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #12C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13998.3Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #12C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13900.6Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #13C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O3988.9Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #13C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O3945.4Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #14C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4000.0Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #14C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3731.2Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #15C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13992.9Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #15C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13911.6Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #16C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3982.6Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #16C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3960.8Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #17C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13988.0Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #17C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13885.5Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #18C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3978.6Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #18C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3946.4Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #19C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13933.4Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #19C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13773.9Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #2C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13914.2Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #2C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13668.2Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #20C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13960.3Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #20C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13932.7Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #21C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O3)C2=N13941.3Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #21C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O3)C2=N13744.2Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #22C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13950.8Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #22C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13912.3Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #23C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O3)C2=N13951.0Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #23C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O3)C2=N13975.3Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #24C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O3)C2=N13934.8Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #24C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O3)C2=N13751.7Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #25C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13943.3Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #25C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13926.1Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #26C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O3)C2=N13942.4Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #26C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O3)C2=N13990.3Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #27C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13952.5Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #27C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13895.9Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #28C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13943.1Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #28C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13973.5Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #29C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4039.3Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #29C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3822.2Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #3C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O13934.0Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #3C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O13837.2Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #30C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O14037.1Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #30C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13992.8Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #31C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O4011.6Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #31C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O4045.1Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #32C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O14038.7Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #32C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13964.6Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #33C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)C[C@@H]1O)O[Si](C)(C)C4010.2Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #33C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)C[C@@H]1O)O[Si](C)(C)C4031.1Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #34C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O14032.1Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #34C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13973.2Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #35C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)C[C@@H]1O4006.0Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #35C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)C[C@@H]1O4048.4Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #36C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)C[C@@H]1O4005.0Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #36C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)C[C@@H]1O4012.5Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #4C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13914.4Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #4C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13680.7Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #5C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13920.7Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #5C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13846.7Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #6C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O3)C2=N13909.9Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #6C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O3)C2=N13654.7Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #7C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13913.7Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #7C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13831.1Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #8C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)C2=N13923.2Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #8C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)C2=N13889.5Standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #9C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C4008.3Semi standard non polar33892256
2-hydroxy-dATP,4TMS,isomer #9C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3750.2Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #1C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13899.8Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #1C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13618.1Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #10C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13914.4Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #10C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13861.5Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #11C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3959.1Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #11C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3661.4Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #12C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13974.1Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #12C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13858.3Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #13C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3942.6Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #13C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3925.9Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #14C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13969.9Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #14C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13830.9Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #15C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3942.8Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #15C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3909.6Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #16C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13964.0Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #16C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13838.2Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #17C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3940.3Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #17C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3926.9Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #18C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3932.5Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #18C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3893.5Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #19C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O3)C2=N13926.6Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #19C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O3)C2=N13680.2Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #2C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13921.4Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #2C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O13800.7Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #20C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13958.0Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #20C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13874.6Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #21C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O3)C2=N13945.9Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #21C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O3)C2=N13956.0Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #22C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13965.6Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #22C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13847.1Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #23C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13946.1Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #23C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13937.1Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #24C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13961.1Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #24C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13853.0Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #25C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13941.1Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #25C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O3)C2=N13954.5Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #26C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O3)C2=N13944.9Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #26C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O3)C2=N13921.1Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #27C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O14010.5Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #27C[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13917.6Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #28C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)C[C@@H]1O)O[Si](C)(C)C3970.4Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #28C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)C[C@@H]1O)O[Si](C)(C)C4002.0Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #29C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3976.4Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #29C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3970.7Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #3C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O3)C2=N13900.7Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #3C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O3)C2=N13588.5Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #30C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)C[C@@H]1O3965.7Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #30C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(O)N=C32)C[C@@H]1O3981.5Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #4C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13918.0Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #4C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O13786.2Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #5C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O3)C2=N13924.7Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #5C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O3)C2=N13862.5Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #6C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O3)C2=N13897.5Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #6C[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O3)C2=N13598.7Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #7C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13914.4Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #7C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O13795.9Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #8C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O3)C2=N13914.3Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #8C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O3)C2=N13874.0Standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #9C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13915.4Semi standard non polar33892256
2-hydroxy-dATP,5TMS,isomer #9C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O13773.7Standard non polar33892256
2-hydroxy-dATP,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O4462.2Semi standard non polar33892256
2-hydroxy-dATP,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)C2=N14384.6Semi standard non polar33892256
2-hydroxy-dATP,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O4500.8Semi standard non polar33892256
2-hydroxy-dATP,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O4517.9Semi standard non polar33892256
2-hydroxy-dATP,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O4501.0Semi standard non polar33892256
2-hydroxy-dATP,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O14480.5Semi standard non polar33892256
2-hydroxy-dATP,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)C2=N14454.4Semi standard non polar33892256
2-hydroxy-dATP,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4587.0Semi standard non polar33892256
2-hydroxy-dATP,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4573.3Semi standard non polar33892256
2-hydroxy-dATP,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O14566.6Semi standard non polar33892256
2-hydroxy-dATP,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O4585.7Semi standard non polar33892256
2-hydroxy-dATP,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O14576.0Semi standard non polar33892256
2-hydroxy-dATP,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O4576.4Semi standard non polar33892256
2-hydroxy-dATP,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O14565.2Semi standard non polar33892256
2-hydroxy-dATP,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)N(C1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)[Si](C)(C)C(C)(C)C4524.4Semi standard non polar33892256
2-hydroxy-dATP,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O4538.6Semi standard non polar33892256
2-hydroxy-dATP,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4544.6Semi standard non polar33892256
2-hydroxy-dATP,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C4525.0Semi standard non polar33892256
2-hydroxy-dATP,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O14504.9Semi standard non polar33892256
2-hydroxy-dATP,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O3)C2=N14505.6Semi standard non polar33892256
2-hydroxy-dATP,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O3)C2=N14511.6Semi standard non polar33892256
2-hydroxy-dATP,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O3)C2=N14492.2Semi standard non polar33892256
2-hydroxy-dATP,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(O[Si](C)(C)C(C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O14472.9Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O3)C2=N14540.5Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O3)C2=N14166.5Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4593.3Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4194.5Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O14563.9Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O14403.3Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O4513.0Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O4426.5Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O3)C2=N14567.1Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O3)C2=N14216.1Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O3)C2=N14553.2Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O3)C2=N14209.7Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC(O[Si](C)(C)C(C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O14564.3Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC(O[Si](C)(C)C(C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O14393.3Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O3)C2=N14555.3Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O3)C2=N14223.3Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC(O[Si](C)(C)C(C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O14562.6Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC(O[Si](C)(C)C(C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O14408.3Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O3)C2=N14557.3Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O3)C2=N14184.7Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)NC1=NC(O[Si](C)(C)C(C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O14561.1Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)NC1=NC(O[Si](C)(C)C(C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O14406.4Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O3)C2=N14541.0Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O3)C2=N14176.0Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)C2=N14510.0Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)C2=N14442.6Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4620.2Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4274.1Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O14625.8Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O14442.7Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4633.3Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4235.1Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O14623.9Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O14439.2Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O4562.3Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O4470.6Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O4628.1Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(O)N=C32)C[C@@H]1O4243.3Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O14623.2Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O14452.3Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)N=C32)C[C@@H]1O4562.4Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)N=C32)C[C@@H]1O4483.5Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O14626.5Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O14408.6Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O3)C2=N14525.5Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=NC(N)=C2N=CN([C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O3)C2=N14170.9Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)N=C32)C[C@@H]1O4552.5Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)N=C32)C[C@@H]1O4484.7Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(O[Si](C)(C)C(C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O14511.8Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(O[Si](C)(C)C(C)(C)C)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O14355.7Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4592.7Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4224.2Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C4592.0Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C4218.6Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O14571.3Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O14390.5Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C4588.5Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(O)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C4231.6Standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O14567.0Semi standard non polar33892256
2-hydroxy-dATP,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(O)=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O14405.1Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2-hydroxy-dATP GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a6s-7592400000-9a5323a4a4983ce827ac2017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-hydroxy-dATP GC-MS (2 TMS) - 70eV, Positivesplash10-000b-9842234000-a45ee37accdeefb305b42017-10-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-hydroxy-dATP 10V, Positive-QTOFsplash10-0udi-0900100000-f273b2a1bf7b8a6086012017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-hydroxy-dATP 20V, Positive-QTOFsplash10-0udi-0900000000-35d6eb4bc72b93c555b22017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-hydroxy-dATP 40V, Positive-QTOFsplash10-0udi-1900000000-8a0f9063d10c49971fdf2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-hydroxy-dATP 10V, Negative-QTOFsplash10-0a4i-0330690000-7f5921611c0fe4b74f5c2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-hydroxy-dATP 20V, Negative-QTOFsplash10-0h00-9730100000-7a8612dc8c0fb43eac342017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-hydroxy-dATP 40V, Negative-QTOFsplash10-056r-9400000000-cde04cd257963f2be3bb2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-hydroxy-dATP 10V, Positive-QTOFsplash10-0a4i-0100090000-b9ee0c1e763f50df4e5a2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-hydroxy-dATP 20V, Positive-QTOFsplash10-0zfr-0624290000-c28d881c1405e68491bc2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-hydroxy-dATP 40V, Positive-QTOFsplash10-0udi-0922000000-a9ce1e3cd20ff47581982021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-hydroxy-dATP 10V, Negative-QTOFsplash10-0a4i-0000190000-313876938839f19aa41b2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-hydroxy-dATP 20V, Negative-QTOFsplash10-0a6r-8610490000-7742a8a7d76bacd934122021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-hydroxy-dATP 40V, Negative-QTOFsplash10-004i-9100100000-b0ee81d4a57a0a71db1a2021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
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 IDNot Available
KEGG Compound IDC19969
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound10368940
PDB IDNot Available
ChEBI ID63208
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. Fujikawa K, Kamiya H, Yakushiji H, Fujii Y, Nakabeppu Y, Kasai H: The oxidized forms of dATP are substrates for the human MutT homologue, the hMTH1 protein. J Biol Chem. 1999 Jun 25;274(26):18201-5. [PubMed:10373420 ]
  2. Sakai Y, Furuichi M, Takahashi M, Mishima M, Iwai S, Shirakawa M, Nakabeppu Y: A molecular basis for the selective recognition of 2-hydroxy-dATP and 8-oxo-dGTP by human MTH1. J Biol Chem. 2002 Mar 8;277(10):8579-87. Epub 2001 Dec 27. [PubMed:11756418 ]

Enzymes

Enzyme Details
1. 7,8-dihydro-8-oxoguanine triphosphatase
General function:
Involved in 8-oxo-7,8-dihydroguanosine triphosphate pyrophosphatase activity
Specific function:
Antimutagenic. Acts as a sanitizing enzyme for oxidized nucleotide pools, thus suppressing cell dysfunction and death induced by oxidative stress. Hydrolyzes 8-oxo-dGTP, 8-oxo-dATP and 2-OH-dATP, thus preventing misincorporation of oxidized purine nucleoside triphosphates into DNA and subsequently preventing A:T to C:G and G:C to T:A transversions. Able to hydrolyze also the corresponding ribonucleotides, 2-OH-ATP, 8-oxo-GTP and 8-oxo-ATP.
Gene Name:
NUDT1
Uniprot ID:
P36639
Molecular weight:
17951.435
Reactions
2-hydroxy-dATP + Water → 2-hydroxy-dAMP + Pyrophosphatedetails