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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2013-07-04 18:54:25 UTC

Update Date

2021-09-14 15:47:21 UTC

HMDB ID

HMDB0060713

Secondary Accession Numbers

HMDB60713

Metabolite Identification

Common Name

2-Chloro-2'-deoxyadenosine-5'-triphosphate

Description

2-Chloro-2'-deoxyadenosine-5'-triphosphate is a metabolite of cladribine. Cladribine (trade names Litak and Movectro) is a drug used to treat hairy cell leukemia (HCL, leukemic reticuloendotheliosis) and multiple sclerosis. Its chemical name is 2-chlorodeoxyadenosine (2CDA). As a purine analog, it is a synthetic anti-cancer agent that also suppresses the immune system. Chemically, it mimics the nucleoside adenosine and thus inhibits the enzyme adenosine deaminase, which interferes with the cell's ability to process DNA. (Wikipedia)

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

  Mrv0541 07041311542D          

 31 33  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
    2.1434    1.2375    0.0000 Cl  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
   -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
  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 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13  3  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 14 10  2  0  0  0  0
 15  9  2  0  0  0  0
 15 10  1  0  0  0  0
 16  3  1  0  0  0  0
  6 16  1  6  0  0  0
 16  9  1  0  0  0  0
  4 17  1  1  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
M  END

HMDB0060713
     RDKit          3D
2-Chloro-2'-deoxyadenosine-5'-triphosphate
 46 48  0  0  0  0  0  0  0  0999 V2000
   -7.9864    0.0170    0.4126 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7083   -0.5760    0.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3943   -1.8351    0.7471 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1413   -2.2639    0.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8141   -3.9527    1.1002 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1035   -1.4608    0.3303 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3357   -0.1925   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6365    0.2321    0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6758    1.5096   -0.3437 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3948    1.8606   -0.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5844    0.8312   -0.4098 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1895    0.8668   -0.6659 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4313    1.9764    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013    1.5333   -0.3123 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2794    2.0146   -1.5866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310    0.0298   -0.3007 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8715   -0.5774    0.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0566   -1.9215    0.0669 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7142   -1.9774   -0.4186 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.0602   -0.5432   -0.9363 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6614   -3.0066   -1.7886 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8322   -2.4242    0.6463 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8332   -1.1479    1.1641 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.2680   -0.6487    2.4970 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4136   -1.6237    1.4269 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410    0.1585    0.1103 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500    1.0804    0.2970 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.2322    1.8652    1.5768 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6320    0.1012    0.3294 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4236    2.1370   -1.0146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5109   -0.2797   -0.1926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5967   -0.0569   -0.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2777    0.5369    1.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1643    2.8752   -0.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9822    1.0101   -1.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6290    2.9741   -0.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5723    1.8838    1.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7384    1.8339    0.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5554    1.3205   -2.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0753   -0.3022   -1.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7602   -0.0465    0.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4868   -0.6393    1.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4820   -2.9477   -2.3113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5377   -2.5767    1.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9598   -0.0486   -0.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3945    2.4010   -1.0262 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
 10 34  1  0
 12 35  1  6
 13 36  1  0
 13 37  1  0
 14 38  1  1
 15 39  1  0
 16 40  1  6
 17 41  1  0
 17 42  1  0
 21 43  1  0
 25 44  1  0
 29 45  1  0
 30 46  1  0
M  END

  Mrv0541 07041311542D          

 31 33  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
    2.1434    1.2375    0.0000 Cl  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
   -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
  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 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13  3  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 14 10  2  0  0  0  0
 15  9  2  0  0  0  0
 15 10  1  0  0  0  0
 16  3  1  0  0  0  0
  6 16  1  6  0  0  0
 16  9  1  0  0  0  0
  4 17  1  1  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
M  END
> <DATABASE_ID>
HMDB0060713

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC(Cl)=N1

> <INCHI_IDENTIFIER>
InChI=1S/C10H15ClN5O12P3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(17)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,17H,1-2H2,(H,21,22)(H,23,24)(H2,12,14,15)(H2,18,19,20)/t4-,5+,6+/m0/s1

> <INCHI_KEY>
PZCJNHCKXRBBNN-KVQBGUIXSA-N

> <FORMULA>
C10H15ClN5O12P3

> <MOLECULAR_WEIGHT>
525.627

> <EXACT_MASS>
524.961858212

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
40.015714217415564

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-0.01

> <JCHEM_LOGP>
-1.7902459219372542

> <ALOGPS_LOGS>
-2.18

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.5378687859740765

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.136864925203648

> <JCHEM_PKA_STRONGEST_BASIC>
0.5369072877199027

> <JCHEM_POLAR_SURFACE_AREA>
258.8999999999999

> <JCHEM_REFRACTIVITY>
99.80219999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.46e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0060713
     RDKit          3D
2-Chloro-2'-deoxyadenosine-5'-triphosphate
 46 48  0  0  0  0  0  0  0  0999 V2000
   -7.9864    0.0170    0.4126 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7083   -0.5760    0.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3943   -1.8351    0.7471 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1413   -2.2639    0.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8141   -3.9527    1.1002 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1035   -1.4608    0.3303 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3357   -0.1925   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6365    0.2321    0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6758    1.5096   -0.3437 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3948    1.8606   -0.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5844    0.8312   -0.4098 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1895    0.8668   -0.6659 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4313    1.9764    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013    1.5333   -0.3123 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2794    2.0146   -1.5866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310    0.0298   -0.3007 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8715   -0.5774    0.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0566   -1.9215    0.0669 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7142   -1.9774   -0.4186 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.0602   -0.5432   -0.9363 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6614   -3.0066   -1.7886 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8322   -2.4242    0.6463 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8332   -1.1479    1.1641 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.2680   -0.6487    2.4970 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4136   -1.6237    1.4269 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410    0.1585    0.1103 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500    1.0804    0.2970 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.2322    1.8652    1.5768 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6320    0.1012    0.3294 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4236    2.1370   -1.0146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5109   -0.2797   -0.1926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5967   -0.0569   -0.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2777    0.5369    1.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1643    2.8752   -0.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9822    1.0101   -1.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6290    2.9741   -0.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5723    1.8838    1.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7384    1.8339    0.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5554    1.3205   -2.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0753   -0.3022   -1.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7602   -0.0465    0.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4868   -0.6393    1.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4820   -2.9477   -2.3113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5377   -2.5767    1.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9598   -0.0486   -0.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3945    2.4010   -1.0262 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
 10 34  1  0
 12 35  1  6
 13 36  1  0
 13 37  1  0
 14 38  1  1
 15 39  1  0
 16 40  1  6
 17 41  1  0
 17 42  1  0
 21 43  1  0
 25 44  1  0
 29 45  1  0
 30 46  1  0
M  END

HEADER    PROTEIN                                 04-JUL-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-JUL-13         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 Cl   UNK     0       4.001   2.310   0.000  0.00  0.00          Cl+0
HETATM   12  N   UNK     0       1.334  -2.310   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      -1.465  -0.476   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0       2.667   0.000   0.000  0.00  0.00           N+0
HETATM   15  N   UNK     0       1.334   2.310   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0      -1.465   2.016   0.000  0.00  0.00           N+0
HETATM   17  O   UNK     0      -1.465   7.437   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
CONECT    1    4    6                                                       
CONECT    2    5   25                                                       
CONECT    3   13   16                                                       
CONECT    4    1    5   17                                                  
CONECT    5    2    4   26                                                  
CONECT    6    1   16   26                                                  
CONECT    7    8    9   13                                                  
CONECT    8    7   12   14                                                  
CONECT    9    7   15   16                                                  
CONECT   10   11   14   15                                                  
CONECT   11   10                                                            
CONECT   12    8                                                            
CONECT   13    3    7                                                       
CONECT   14    8   10                                                       
CONECT   15    9   10                                                       
CONECT   16    3    6    9                                                  
CONECT   17    4                                                            
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                                             
MASTER        0    0    0    0    0    0    0    0   31    0   66    0
END

COMPND    HMDB0060713
HETATM    1  N1  UNL     1      -7.986   0.017   0.413  1.00  0.00           N  
HETATM    2  C1  UNL     1      -6.708  -0.576   0.427  1.00  0.00           C  
HETATM    3  N2  UNL     1      -6.394  -1.835   0.747  1.00  0.00           N  
HETATM    4  C2  UNL     1      -5.141  -2.264   0.705  1.00  0.00           C  
HETATM    5 CL1  UNL     1      -4.814  -3.953   1.100  1.00  0.00          CL  
HETATM    6  N3  UNL     1      -4.103  -1.461   0.330  1.00  0.00           N  
HETATM    7  C3  UNL     1      -4.336  -0.192  -0.016  1.00  0.00           C  
HETATM    8  C4  UNL     1      -5.636   0.232   0.037  1.00  0.00           C  
HETATM    9  N4  UNL     1      -5.676   1.510  -0.344  1.00  0.00           N  
HETATM   10  C5  UNL     1      -4.395   1.861  -0.626  1.00  0.00           C  
HETATM   11  N5  UNL     1      -3.584   0.831  -0.410  1.00  0.00           N  
HETATM   12  C6  UNL     1      -2.189   0.867  -0.666  1.00  0.00           C  
HETATM   13  C7  UNL     1      -1.431   1.976   0.027  1.00  0.00           C  
HETATM   14  C8  UNL     1       0.001   1.533  -0.312  1.00  0.00           C  
HETATM   15  O1  UNL     1       0.279   2.015  -1.587  1.00  0.00           O  
HETATM   16  C9  UNL     1      -0.231   0.030  -0.301  1.00  0.00           C  
HETATM   17  C10 UNL     1       0.871  -0.577   0.471  1.00  0.00           C  
HETATM   18  O2  UNL     1       1.057  -1.921   0.067  1.00  0.00           O  
HETATM   19  P1  UNL     1       2.714  -1.977  -0.419  1.00  0.00           P  
HETATM   20  O3  UNL     1       3.060  -0.543  -0.936  1.00  0.00           O  
HETATM   21  O4  UNL     1       2.661  -3.007  -1.789  1.00  0.00           O  
HETATM   22  O5  UNL     1       3.832  -2.424   0.646  1.00  0.00           O  
HETATM   23  P2  UNL     1       4.833  -1.148   1.164  1.00  0.00           P  
HETATM   24  O6  UNL     1       4.268  -0.649   2.497  1.00  0.00           O  
HETATM   25  O7  UNL     1       6.414  -1.624   1.427  1.00  0.00           O  
HETATM   26  O8  UNL     1       4.841   0.159   0.110  1.00  0.00           O  
HETATM   27  P3  UNL     1       6.250   1.080   0.297  1.00  0.00           P  
HETATM   28  O9  UNL     1       6.232   1.865   1.577  1.00  0.00           O  
HETATM   29  O10 UNL     1       7.632   0.101   0.329  1.00  0.00           O  
HETATM   30  O11 UNL     1       6.424   2.137  -1.015  1.00  0.00           O  
HETATM   31  O12 UNL     1      -1.511  -0.280  -0.193  1.00  0.00           O  
HETATM   32  H1  UNL     1      -8.597  -0.057  -0.399  1.00  0.00           H  
HETATM   33  H2  UNL     1      -8.278   0.537   1.252  1.00  0.00           H  
HETATM   34  H3  UNL     1      -4.164   2.875  -0.935  1.00  0.00           H  
HETATM   35  H4  UNL     1      -1.982   1.010  -1.783  1.00  0.00           H  
HETATM   36  H5  UNL     1      -1.629   2.974  -0.379  1.00  0.00           H  
HETATM   37  H6  UNL     1      -1.572   1.884   1.125  1.00  0.00           H  
HETATM   38  H7  UNL     1       0.738   1.834   0.433  1.00  0.00           H  
HETATM   39  H8  UNL     1       0.555   1.320  -2.226  1.00  0.00           H  
HETATM   40  H9  UNL     1       0.075  -0.302  -1.420  1.00  0.00           H  
HETATM   41  H10 UNL     1       1.760  -0.046   0.527  1.00  0.00           H  
HETATM   42  H11 UNL     1       0.487  -0.639   1.588  1.00  0.00           H  
HETATM   43  H12 UNL     1       3.482  -2.948  -2.311  1.00  0.00           H  
HETATM   44  H13 UNL     1       6.538  -2.577   1.548  1.00  0.00           H  
HETATM   45  H14 UNL     1       7.960  -0.049  -0.590  1.00  0.00           H  
HETATM   46  H15 UNL     1       7.395   2.401  -1.026  1.00  0.00           H  
CONECT    1    2   32   33
CONECT    2    3    3    8
CONECT    3    4
CONECT    4    5    6    6
CONECT    6    7
CONECT    7    8    8   11
CONECT    8    9
CONECT    9   10   10
CONECT   10   11   34
CONECT   11   12
CONECT   12   13   31   35
CONECT   13   14   36   37
CONECT   14   15   16   38
CONECT   15   39
CONECT   16   17   31   40
CONECT   17   18   41   42
CONECT   18   19
CONECT   19   20   20   21   22
CONECT   21   43
CONECT   22   23
CONECT   23   24   24   25   26
CONECT   25   44
CONECT   26   27
CONECT   27   28   28   29   30
CONECT   29   45
CONECT   30   46
END

HMDB0060713
     RDKit          3D
2-Chloro-2'-deoxyadenosine-5'-triphosphate
 46 48  0  0  0  0  0  0  0  0999 V2000
   -7.9864    0.0170    0.4126 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7083   -0.5760    0.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3943   -1.8351    0.7471 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1413   -2.2639    0.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8141   -3.9527    1.1002 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1035   -1.4608    0.3303 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3357   -0.1925   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6365    0.2321    0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6758    1.5096   -0.3437 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3948    1.8606   -0.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5844    0.8312   -0.4098 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1895    0.8668   -0.6659 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4313    1.9764    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013    1.5333   -0.3123 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2794    2.0146   -1.5866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310    0.0298   -0.3007 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8715   -0.5774    0.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0566   -1.9215    0.0669 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7142   -1.9774   -0.4186 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.0602   -0.5432   -0.9363 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6614   -3.0066   -1.7886 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8322   -2.4242    0.6463 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8332   -1.1479    1.1641 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.2680   -0.6487    2.4970 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4136   -1.6237    1.4269 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410    0.1585    0.1103 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500    1.0804    0.2970 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.2322    1.8652    1.5768 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6320    0.1012    0.3294 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4236    2.1370   -1.0146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5109   -0.2797   -0.1926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5967   -0.0569   -0.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2777    0.5369    1.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1643    2.8752   -0.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9822    1.0101   -1.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6290    2.9741   -0.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5723    1.8838    1.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7384    1.8339    0.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5554    1.3205   -2.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0753   -0.3022   -1.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7602   -0.0465    0.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4868   -0.6393    1.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4820   -2.9477   -2.3113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5377   -2.5767    1.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9598   -0.0486   -0.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3945    2.4010   -1.0262 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
 10 34  1  0
 12 35  1  6
 13 36  1  0
 13 37  1  0
 14 38  1  1
 15 39  1  0
 16 40  1  6
 17 41  1  0
 17 42  1  0
 21 43  1  0
 25 44  1  0
 29 45  1  0
 30 46  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-Chloro-2'-deoxyadenosine-5'-triphosphoric acid	Generator
2-Chloro-2'-deoxyadenosine triphosphate	HMDB
2-Chloro-dATP	HMDB

Chemical Formula

C₁₀H₁₅ClN₅O₁₂P₃

Average Molecular Weight

525.627

Monoisotopic Molecular Weight

524.961858212

IUPAC Name

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

CAS Registry Number

Not Available

SMILES

NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC(Cl)=N1

InChI Identifier

InChI=1S/C10H15ClN5O12P3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(17)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,17H,1-2H2,(H,21,22)(H,23,24)(H2,12,14,15)(H2,18,19,20)/t4-,5+,6+/m0/s1

InChI Key

PZCJNHCKXRBBNN-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.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine deoxyribonucleotides

Direct Parent

Purine 2'-deoxyribonucleoside triphosphates

Alternative Parents

Substituents

Purine 2'-deoxyribonucleoside triphosphate
6-aminopurine
Purine
Imidazopyrimidine
Aminopyrimidine
2-halopyrimidine
Monoalkyl phosphate
Halopyrimidine
Organic phosphoric acid derivative
Phosphoric acid ester
N-substituted imidazole
Aryl chloride
Aryl halide
Imidolactam
Alkyl phosphate
Pyrimidine
Azole
Tetrahydrofuran
Heteroaromatic compound
Imidazole
Secondary alcohol
Oxacycle
Azacycle
Organoheterocyclic compound
Organohalogen compound
Primary amine
Amine
Alcohol
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organooxygen compound
Organochloride
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0060713)

Organ

Kidney (HMDB: HMDB0060713)
Liver (HMDB: HMDB0060713)

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0060713)

Cellular substructure

Cytoplasm (HMDB: HMDB0060713)

Source

Endogenous

Endogenous (HMDB: HMDB0060713)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	3.46 g/L	ALOGPS
logP	-0.01	ALOGPS
logP	-1.8	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	1.14	ChemAxon
pKa (Strongest Basic)	0.54	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	258.9 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	99.8 m³·mol⁻¹	ChemAxon
Polarizability	40.02 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	173.9	30932474
DeepCCS	[M-H]-	170.801	30932474
DeepCCS	[M-2H]-	205.405	30932474
DeepCCS	[M+Na]+	181.216	30932474
AllCCS	[M+H]+	200.0	32859911
AllCCS	[M+H-H2O]+	198.3	32859911
AllCCS	[M+NH4]+	201.5	32859911
AllCCS	[M+Na]+	202.0	32859911
AllCCS	[M-H]-	191.7	32859911
AllCCS	[M+Na-2H]-	192.1	32859911
AllCCS	[M+HCOO]-	192.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
2-Chloro-2'-deoxyadenosine-5'-triphosphate	NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC(Cl)=N1	5104.6	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate	NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC(Cl)=N1	2975.3	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate	NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC(Cl)=N1	4433.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
2-Chloro-2'-deoxyadenosine-5'-triphosphate,1TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O	4028.3	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,1TMS,isomer #2	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O	4070.1	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,1TMS,isomer #3	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(Cl)N=C32)C[C@@H]1O	4080.2	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,1TMS,isomer #4	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(Cl)N=C32)C[C@@H]1O	4058.3	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,1TMS,isomer #5	C[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1	4049.1	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O	3946.7	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O	3694.2	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O	6774.8	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #10	C[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(Cl)N=C32)C[C@@H]1O	3959.2	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #10	C[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(Cl)N=C32)C[C@@H]1O	3765.3	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #10	C[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(Cl)N=C32)C[C@@H]1O	6560.3	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #11	C[Si](C)(C)NC1=NC(Cl)=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)O1	3966.9	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #11	C[Si](C)(C)NC1=NC(Cl)=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)O1	3818.2	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #11	C[Si](C)(C)NC1=NC(Cl)=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)O1	6518.4	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #12	C[Si](C)(C)N(C1=NC(Cl)=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	3988.5	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #12	C[Si](C)(C)N(C1=NC(Cl)=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	3855.5	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #12	C[Si](C)(C)N(C1=NC(Cl)=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	6718.3	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #2	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3942.7	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #2	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3700.3	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #2	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	6841.7	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	3924.6	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	3691.7	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	6798.2	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #4	C[Si](C)(C)NC1=NC(Cl)=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)O1	3945.2	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #4	C[Si](C)(C)NC1=NC(Cl)=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)O1	3740.6	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #4	C[Si](C)(C)NC1=NC(Cl)=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)O1	6820.3	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #5	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3976.0	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #5	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3785.5	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #5	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	6530.1	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C	3958.9	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C	3776.2	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C	6516.1	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #7	C[Si](C)(C)NC1=NC(Cl)=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)O1	3995.3	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #7	C[Si](C)(C)NC1=NC(Cl)=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)O1	3822.3	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #7	C[Si](C)(C)NC1=NC(Cl)=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)O1	6477.7	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #8	C[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(Cl)N=C32)C[C@@H]1O	3952.9	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #8	C[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(Cl)N=C32)C[C@@H]1O	3783.0	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #8	C[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(Cl)N=C32)C[C@@H]1O	6564.6	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #9	C[Si](C)(C)NC1=NC(Cl)=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)O1	3991.3	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #9	C[Si](C)(C)NC1=NC(Cl)=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)O1	3826.9	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TMS,isomer #9	C[Si](C)(C)NC1=NC(Cl)=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)O1	6489.4	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3882.4	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3678.6	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	6337.7	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #10	C[Si](C)(C)NC1=NC(Cl)=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)O1	3940.1	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #10	C[Si](C)(C)NC1=NC(Cl)=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)O1	3833.1	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #10	C[Si](C)(C)NC1=NC(Cl)=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)O1	5897.6	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #11	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3894.4	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #11	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3728.6	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #11	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	6142.1	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #12	C[Si](C)(C)NC1=NC(Cl)=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)O1	3919.6	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #12	C[Si](C)(C)NC1=NC(Cl)=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)O1	3819.7	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #12	C[Si](C)(C)NC1=NC(Cl)=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)O1	5977.3	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #13	C[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(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O	3915.6	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #13	C[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(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O	3866.8	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #13	C[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(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O	6069.7	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #14	C[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(Cl)N=C32)C[C@@H]1O	3890.6	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #14	C[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(Cl)N=C32)C[C@@H]1O	3732.2	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #14	C[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(Cl)N=C32)C[C@@H]1O	6161.7	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #15	C[Si](C)(C)NC1=NC(Cl)=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)O1	3914.3	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #15	C[Si](C)(C)NC1=NC(Cl)=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)O1	3824.4	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #15	C[Si](C)(C)NC1=NC(Cl)=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)O1	5949.4	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #16	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)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O	3904.1	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #16	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)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O	3869.6	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #16	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)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O	6025.7	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #17	C[Si](C)(C)NC1=NC(Cl)=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)O1	3922.8	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #17	C[Si](C)(C)NC1=NC(Cl)=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)O1	3804.9	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #17	C[Si](C)(C)NC1=NC(Cl)=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)O1	6002.4	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #18	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)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O	3903.1	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #18	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)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O	3863.5	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #18	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)[Si](C)(C)C)N=C(Cl)N=C32)C[C@@H]1O	6113.0	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #2	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	3870.4	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #2	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	3664.8	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #2	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	6339.0	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #3	C[Si](C)(C)NC1=NC(Cl)=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)O1	3910.2	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #3	C[Si](C)(C)NC1=NC(Cl)=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)O1	3756.9	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #3	C[Si](C)(C)NC1=NC(Cl)=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)O1	6202.0	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #4	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	3867.4	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #4	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	3674.5	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #4	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	6365.8	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #5	C[Si](C)(C)NC1=NC(Cl)=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)O1	3898.3	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #5	C[Si](C)(C)NC1=NC(Cl)=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)O1	3764.4	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #5	C[Si](C)(C)NC1=NC(Cl)=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)O1	6180.0	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #6	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3869.4	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #6	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3657.2	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #6	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	6369.4	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #7	C[Si](C)(C)NC1=NC(Cl)=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)O1	3881.6	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #7	C[Si](C)(C)NC1=NC(Cl)=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)O1	3751.4	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #7	C[Si](C)(C)NC1=NC(Cl)=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)O1	6246.7	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #8	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O	3885.1	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #8	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O	3800.0	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #8	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O	6356.0	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #9	C[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(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C	3883.1	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #9	C[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(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C	3744.3	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TMS,isomer #9	C[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(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C	6119.7	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)C	3840.9	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)C	3617.8	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)C	5978.0	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #10	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	3849.9	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #10	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	3795.0	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #10	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	5847.7	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #11	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3857.8	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #11	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3679.9	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #11	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	5778.6	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #12	C[Si](C)(C)NC1=NC(Cl)=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)O1	3907.3	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #12	C[Si](C)(C)NC1=NC(Cl)=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)O1	3809.6	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #12	C[Si](C)(C)NC1=NC(Cl)=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)O1	5494.0	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #13	C[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(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3885.8	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #13	C[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(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3862.0	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #13	C[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(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	5512.3	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #14	C[Si](C)(C)NC1=NC(Cl)=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)O1	3917.3	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #14	C[Si](C)(C)NC1=NC(Cl)=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)O1	3787.9	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #14	C[Si](C)(C)NC1=NC(Cl)=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)O1	5553.6	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #15	C[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(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C	3892.0	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #15	C[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(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C	3849.2	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #15	C[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(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C	5624.4	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #16	C[Si](C)(C)NC1=NC(Cl)=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)O1	3911.1	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #16	C[Si](C)(C)NC1=NC(Cl)=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)O1	3790.4	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #16	C[Si](C)(C)NC1=NC(Cl)=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)O1	5521.3	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #17	C[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(Cl)N=C32)C[C@@H]1O	3879.6	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #17	C[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(Cl)N=C32)C[C@@H]1O	3858.7	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #17	C[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(Cl)N=C32)C[C@@H]1O	5560.4	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #18	C[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(Cl)N=C32)C[C@@H]1O	3895.0	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #18	C[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(Cl)N=C32)C[C@@H]1O	3835.9	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #18	C[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(Cl)N=C32)C[C@@H]1O	5642.6	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #2	C[Si](C)(C)NC1=NC(Cl)=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)O1	3888.5	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #2	C[Si](C)(C)NC1=NC(Cl)=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)O1	3753.0	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #2	C[Si](C)(C)NC1=NC(Cl)=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)O1	5669.8	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)C	3846.1	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)C	3595.4	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)C	6024.7	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #4	C[Si](C)(C)NC1=NC(Cl)=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)O1	3877.7	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #4	C[Si](C)(C)NC1=NC(Cl)=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)O1	3737.2	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #4	C[Si](C)(C)NC1=NC(Cl)=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)O1	5771.3	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #5	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O	3860.7	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #5	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O	3797.8	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #5	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O	5801.0	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)C	3845.7	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)C	3603.0	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)C	6012.6	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #7	C[Si](C)(C)NC1=NC(Cl)=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)O1	3870.6	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #7	C[Si](C)(C)NC1=NC(Cl)=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)O1	3743.6	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #7	C[Si](C)(C)NC1=NC(Cl)=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)O1	5720.2	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #8	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3851.4	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #8	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3806.8	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #8	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	5737.5	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #9	C[Si](C)(C)NC1=NC(Cl)=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)O1	3876.6	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #9	C[Si](C)(C)NC1=NC(Cl)=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)O1	3729.3	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,4TMS,isomer #9	C[Si](C)(C)NC1=NC(Cl)=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)O1	5796.3	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)C	3843.4	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)C	3550.2	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)C	5649.3	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #10	C[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(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C	3884.8	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #10	C[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(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C	3825.2	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #10	C[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(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C	5122.3	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #11	C[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(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3899.9	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #11	C[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(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3800.4	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #11	C[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(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	5207.5	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #12	C[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(Cl)N=C32)C[C@@H]1O	3889.5	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #12	C[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(Cl)N=C32)C[C@@H]1O	3809.8	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #12	C[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(Cl)N=C32)C[C@@H]1O	5141.8	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #2	C[Si](C)(C)NC1=NC(Cl)=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)O1	3888.0	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #2	C[Si](C)(C)NC1=NC(Cl)=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)O1	3705.6	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #2	C[Si](C)(C)NC1=NC(Cl)=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)O1	5270.2	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3861.5	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3773.4	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	5270.3	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #4	C[Si](C)(C)NC1=NC(Cl)=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)O1	3885.8	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #4	C[Si](C)(C)NC1=NC(Cl)=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)O1	3685.0	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #4	C[Si](C)(C)NC1=NC(Cl)=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)O1	5353.4	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #5	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	3858.6	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #5	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	3760.9	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #5	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	5404.5	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #6	C[Si](C)(C)NC1=NC(Cl)=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)O1	3889.0	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #6	C[Si](C)(C)NC1=NC(Cl)=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)O1	3691.4	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #6	C[Si](C)(C)NC1=NC(Cl)=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)O1	5297.1	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #7	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	3856.4	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #7	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	3772.4	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #7	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	5316.8	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #8	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3857.3	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #8	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3751.2	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #8	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	5430.0	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #9	C[Si](C)(C)NC1=NC(Cl)=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)O1	3923.3	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #9	C[Si](C)(C)NC1=NC(Cl)=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)O1	3748.5	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,5TMS,isomer #9	C[Si](C)(C)NC1=NC(Cl)=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)O1	5056.8	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O	4231.9	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O	4290.2	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,1TBDMS,isomer #3	CC(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(Cl)N=C32)C[C@@H]1O	4295.3	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,1TBDMS,isomer #4	CC(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(Cl)N=C32)C[C@@H]1O	4280.8	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1	4278.4	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O	4340.9	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O	4039.2	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O	6778.2	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #10	CC(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(Cl)N=C32)C[C@@H]1O	4367.8	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #10	CC(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(Cl)N=C32)C[C@@H]1O	4047.2	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #10	CC(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(Cl)N=C32)C[C@@H]1O	6638.7	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4363.6	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4152.6	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	6516.1	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C1=NC(Cl)=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)C	4324.3	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C1=NC(Cl)=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)C	4181.5	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C1=NC(Cl)=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)C	6563.1	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	4341.2	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	4043.0	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	6829.5	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	4322.5	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	4036.9	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	6795.1	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4312.9	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4121.8	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	6686.2	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	4382.2	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	4065.2	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)N=C32)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	6603.8	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #6	CC(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(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	4368.4	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #6	CC(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(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	4058.1	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #6	CC(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(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	6592.7	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4378.3	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4149.2	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	6482.7	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #8	CC(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(Cl)N=C32)C[C@@H]1O	4364.0	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #8	CC(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(Cl)N=C32)C[C@@H]1O	4062.3	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #8	CC(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(Cl)N=C32)C[C@@H]1O	6627.1	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4380.0	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4153.8	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	6468.3	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)O	4410.6	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)O	4096.0	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)O	6389.7	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4453.0	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4252.4	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	6001.4	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)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)C	4438.7	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)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)C	4098.5	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=C(Cl)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)C	6259.8	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4440.0	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4246.3	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	6090.0	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #13	CC(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(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O	4392.0	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #13	CC(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(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O	4298.0	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #13	CC(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(Cl)N=C32)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O	6111.1	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #14	CC(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(Cl)N=C32)C[C@@H]1O	4428.5	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #14	CC(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(Cl)N=C32)C[C@@H]1O	4103.0	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #14	CC(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(Cl)N=C32)C[C@@H]1O	6247.6	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4442.6	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4255.5	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	6039.4	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #16	CC(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(Cl)N=C32)C[C@@H]1O	4391.5	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #16	CC(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(Cl)N=C32)C[C@@H]1O	4306.5	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #16	CC(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(Cl)N=C32)C[C@@H]1O	6048.7	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4441.4	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4231.6	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	6125.3	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #18	CC(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(Cl)N=C32)C[C@@H]1O	4379.4	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #18	CC(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(Cl)N=C32)C[C@@H]1O	4303.9	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #18	CC(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(Cl)N=C32)C[C@@H]1O	6140.5	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)C	4414.2	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)C	4090.5	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)C	6415.9	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4406.0	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4223.8	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	6246.1	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)C	4409.1	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)C	4098.7	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)C	6409.0	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4408.3	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4235.7	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	6203.4	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)C	4417.6	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)C	4081.1	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C(N)N=C(Cl)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)C	6457.3	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4392.8	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	4228.1	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(Cl)=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)O1	6280.3	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #8	CC(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(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O	4357.3	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #8	CC(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(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O	4274.5	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #8	CC(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(Cl)N=C32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O	6292.2	Standard polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #9	CC(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(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	4420.0	Semi standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #9	CC(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(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	4117.3	Standard non polar	33892256
2-Chloro-2'-deoxyadenosine-5'-triphosphate,3TBDMS,isomer #9	CC(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(Cl)N=C32)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	6197.0	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0005-9472010000-d477db52510f6c3f395f	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate GC-MS (1 TMS) - 70eV, Positive	splash10-006y-9028010000-38472ab83edf09f30f2b	2017-10-06	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 10V, Positive-QTOF	splash10-00di-0900010000-cc140ff4508a315556af	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 20V, Positive-QTOF	splash10-00di-0900000000-bfdbe07040ff3a8de9a1	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 40V, Positive-QTOF	splash10-00di-0900000000-9fdae7d050263490a6d4	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 10V, Negative-QTOF	splash10-03k9-0220970000-492ff8baf6ccddfc3a24	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 20V, Negative-QTOF	splash10-0400-9720000000-ef473abb8ee6d11c47af	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 40V, Negative-QTOF	splash10-056r-9500000000-93b2efb043e05fbe0bad	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 10V, Positive-QTOF	splash10-00di-0900030000-2d2bfdc9383ed10b439e	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 20V, Positive-QTOF	splash10-00di-0911000000-220901d7d9397063a032	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 40V, Positive-QTOF	splash10-00di-0942000000-585539bd659382ac5c60	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 10V, Negative-QTOF	splash10-00di-0000090000-6a2762685612408f377e	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 20V, Negative-QTOF	splash10-05di-8800490000-0068fb982815992f29d8	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Chloro-2'-deoxyadenosine-5'-triphosphate 40V, Negative-QTOF	splash10-004i-9400100000-c42e8868b887260418bf	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Urine

Tissue Locations

Kidney
Liver

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

452857

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for 2-Chloro-2'-deoxyadenosine-5'-triphosphate (HMDB0060713)

MOL for HMDB0060713 (2-Chloro-2'-deoxyadenosine-5'-triphosphate)

3D MOL for HMDB0060713 (2-Chloro-2'-deoxyadenosine-5'-triphosphate)

3D SDF for HMDB0060713 (2-Chloro-2'-deoxyadenosine-5'-triphosphate)

3D-SDF for HMDB0060713 (2-Chloro-2'-deoxyadenosine-5'-triphosphate)

PDB for HMDB0060713 (2-Chloro-2'-deoxyadenosine-5'-triphosphate)

3D PDB for HMDB0060713 (2-Chloro-2'-deoxyadenosine-5'-triphosphate)

SMILES for HMDB0060713 (2-Chloro-2'-deoxyadenosine-5'-triphosphate)

INCHI for HMDB0060713 (2-Chloro-2'-deoxyadenosine-5'-triphosphate)

Structure for HMDB0060713 (2-Chloro-2'-deoxyadenosine-5'-triphosphate)

3D Structure for HMDB0060713 (2-Chloro-2'-deoxyadenosine-5'-triphosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra