Basic information
- CAS
51777-22-1- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(O)(=S)OP(=O)(O)O)[C@@H](O)[C@H]1O- InChIKey
LPUNOWSWFBIBQH-JVXRWYCYSA-N- Molecular formula
- C10H15N5O9P2S
- Average molar mass
- 443.27 g/mol
- Monoisotopic mass
- 443.00657224
Overview
do not confuse with ADP beta S
Names & identifiers
- Preferred name
- Adenosine, 5'->P'-ester with thiodiphosphoric acid ((HO)2P(O)OP(S)(OH)2)
- IUPAC
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] dihydrogen phosphate
- English name
- adenosine 5'-O-(1-thiodiphosphate)
- Molecular formula
- C10H15N5O9P2S
- Molecular weight
- 443.26
Names & synonyms
AdpalphasAdenosine 5'-O-(1-thiodiphosphate)ADP alpha S51777-22-1Adenosine,-5'-P'-ester with thiodiphosphoric acid ((HO)2P(O)OP(S)(OH)2)RefChem:915155Adenosine, 5'->P'-ester with thiodiphosphoric acid ((HO)2P(O)OP(S)(OH)2)CHEMBL575257[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] dihydrogen phosphateCHEMBL3934928CHEMBL3944051DTXSID20966093
Show more names
Adenosine, 5'→P'-ester with thiodiphosphoric acid ((HO)2P(O)OP(S)(OH)2)
adenosine 5'-(1-thiodiphosphate)BDBM50131059PD198002PD1980075'-O-[Hydroxy(phosphonooxy)phosphorothioyl]adenosine9-{5-O-[Hydroxy(phosphonooxy)phosphorothioyl]pentofuranosyl}-9H-purin-6-amine
Database identifiers
- CAS
51777-22-1- PubChem CID
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 248 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 642
Physicochemical properties
- Boiling point
- 824.2 · 824.2±75.0 °C(Predicted)
- Density
- 2.42 · 2.42±0.1 g/cm3(Predicted)
- pka
- 1.86 · 1.86±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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