Basic information
- CAS
958779-80-1- Standard SMILES
O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]1O)c1cccnc1- InChIKey
ZAAJIZNPDZSLRX-UBEDBUPSSA-N- Molecular formula
- C16H17N6O8P
- Average molar mass
- 452.32 g/mol
- Monoisotopic mass
- 452.08454852
Names & identifiers
- Preferred name
- Niacinamide adenylate
- IUPAC
- [(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[6-(pyridine-3-carbonylamino)purin-9-yl]oxolan-3-yl] dihydrogen phosphate
Names & synonyms
NIACINAMIDE ADENYLATENicotinamide adenylateUNII-A96HRS08URA96HRS08UR(2R,3S,4R,5R)-4-Hydroxy-2-(hydroxymethyl)-5-(6-(nicotinamido)-9H-purin-9-yl)tetrahydrofuran-3-yl dihydrogen phosphate958779-80-1Q27273797
Database identifiers
- CAS
958779-80-1- PubChem CID
- 14847
- UNII
- A96HRS08UR
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 699
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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