beta-(4-Azidophenyl)adenosine 5'-diphosphate
Basic information
- CAS
76611-59-1- Standard SMILES
[N-]=[N+]=Nc1ccc(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1- InChIKey
OPMKAKQNACVKTE-XNIJJKJLSA-N- Molecular formula
- C16H18N8O10P2
- Average molar mass
- 544.31 g/mol
- Monoisotopic mass
- 544.0621128
Names & identifiers
- Preferred name
- beta-(4-Azidophenyl)adenosine 5'-diphosphate
- IUPAC
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (4-azidophenyl) hydrogen phosphate
- English name
- beta-(4-azidophenyl)adenosine 5'-diphosphate
- Molecular formula
- C16H18N8O10P2
- Molecular weight
- 544.309242
Names & synonyms
4-Apad76611-59-1beta-(4-Azidophenyl)adenosine 5'-diphosphateAdenosine 5'-(trihydrogen diphosphate), P'-(4-azidophenyl) esterRefChem:119158[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (4-azidophenyl) hydrogen phosphateDTXSID609979425'-O-[{[(4-Azidophenoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine9-{5-O-[{[(4-Azidophenoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine
Database identifiers
- CAS
76611-59-1- PubChem CID
- 196475
- DTXSID
DTXSID60997942
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 236 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 921
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Related reactions
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Compound notes
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