5'-Adenylic acid, N-benzyl-, diammonium salt
Basic information
- CAS
102366-80-3- Standard SMILES
N.N.O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O- InChIKey
NMJDWJAJQXXTPT-CXKSGAPPSA-N- Molecular formula
- C17H26N7O7P
- Average molar mass
- 471.4 g/mol
- Monoisotopic mass
- 471.16313319
Names & identifiers
- Preferred name
- 5'-Adenylic acid, N-benzyl-, diammonium salt
- IUPAC
- azane;[(2R,3S,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Names & synonyms
5'-ADENYLIC ACID, N-BENZYL-, DIAMMONIUM SALT102366-80-3RefChem:1072069N(sup 6)Bar5PN(sup 6)Benzyladenosine-5'-monophosphate diammonium saltAdenosine, N-benzyl-, 5'-monophosphate, diammonium saltDTXSID60907405N-Benzyladenosine 5'-(dihydrogen phosphate)--ammonia (1/2)N-Benzyl-9-(5-O-phosphonopentofuranosyl)-9H-purin-6-amine--ammonia (1/2)
Database identifiers
- CAS
102366-80-3- PubChem CID
- 59309
- DTXSID
DTXSID60907405
Properties
Computed structural properties
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 621
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Compound notes
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