β-Nicotinamide Mononucleotide

CAS	1094-61-7
Structure
Synonyms	Nicotinamide nucleotide
IUPAC Name	[(2R,3S,4R,5R)-5-(3-Carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Molecular Weight	334.22
Molecular Formula	C11H15N2O8P
Canonical SMILES	C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)[O-])O)O)C(=O)N
InChI	InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1
InChI Key	DAYLJWODMCOQEW-TURQNECASA-N
Melting Point	166 °C
Purity	97%
pH	2-4
Appearance	Solid