Datpalphas
[[(2R,3S)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
Also Known As: Datpalphas|a-Thio-dATP|2'-Deoxyadenosine-5'-O-(1-thiotriphosphate) lithium salt|(S)-2'-Deoxyadenosine 5'-P''-ester with thiotriphosphoric acid ((HO)2P(O)OP(O)(OH)OP(S)(OH)2)|Adenosine, 2'-deoxy-, 5'-P''-ester with thiotriphosphoric acid ((HO)2P(O)OP(O)(OH)OP(S)(OH)2), (S)-|2'-Deoxyadenosine-5'-O-(1-thiotriphosphate) lithium salt - 100 mM aqueous solution|[[(2R,3S)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
| Molecular Formula | C10H16N5O11P3S |
|---|---|
| Molecular Weight | 506.978 g/mol |
| LogP | -0.4834 |
| Topological Polar Surface Area | 241.83 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.978 |
| Monoisotopic Mass | 506.978 |
| Heavy Atoms | 30 |
| Complexity | 1077.0548 |
Chemical Identifiers
| CAS Number | 80875-87-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](OC1N2C=NC3=C(N=CN=C32)N)COP(=S)(O)OP(=O)(O)OP(=O)(O)O)O |
Product Overview
Datpalphas (CAS 80875-87-2), with molecular formula C10H16N5O11P3S and molecular weight 506.978 g/mol. IUPAC: [[(2R,3S)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate.