beta-Nicotinamide adenine dinucleotide phosphate sodium salt hydrate
[CAS# 698999-85-8]

Identification

• Name: beta-Nicotinamide adenine dinucleotide phosphate sodium salt hydrate
• Synonyms: β-Nicotinamide adenine dinucleotide phosphate sodium salt hydrate; Z00004
• Molecular Formula: C₂₁H₂₉N₇NaO₁₇P₃
• Molecular Weight: 767.40
• CAS Registry Number: 698999-85-8
• SMILES: c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N.[Na]
• InChI: 1S/C21H28N7O17P3.Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39);/p+1
• InChIKey: ZUXQIVQXILFYQI-UHFFFAOYSA-O

Properties

• Refractive index: (Cal.)