NIACINAMIDE ADENYLATE

[(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[6-(pyridine-3-carbonylamino)purin-9-yl]oxolan-3-yl] dihydrogen phosphate

CAS: 958779-80-1

Molecular Formula	`C16H17N6O8P`
Molecular Weight	452.32 g/mol
LogP	-2.8
Topological Polar Surface Area	202.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	12
Rotatable Bonds	6
Exact Mass	452.08453
Heavy Atoms	31
Complexity	699.0

Chemical Identifiers

CAS Number	958779-80-1
SMILES	`C1=CC(=CN=C1)C(=O)NC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)OP(=O)(O)O)O`
InChIKey	`ZAAJIZNPDZSLRX-UBEDBUPSSA-N`

📖 Product Overview

NIACINAMIDE ADENYLATE (CAS: 958779-80-1) is a chemical compound with molecular formula C16H17N6O8P and molecular weight 452.32 g/mol. Its IUPAC systematic name is [(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[6-(pyridine-3-carbonylamino)purin-9-yl]oxolan-3-yl] dihydrogen phosphate. LogP -2.8 Topological Polar Surface Area 202.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 12 Rotatable Bonds 6 Exact Mass 452.08453 Heavy Atoms 31 Complexity 699.0 InChI Key: ZAAJIZNPDZSLRX-UBEDBUPSSA-N. SMILES: C1=CC(=CN=C1)C(=O)NC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)OP(=O)(O)O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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