Deamino NADH Sodium Salt
[CAS# 22052-73-9]

Identification

• Name: Deamino NADH Sodium Salt
• Synonyms: [[(2R,3S,4R,5R)-5-(3-Carbamoyl-4H-Pyridin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-Oxo-3H-Purin-9-Yl)Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [[(2R,3S,4R,5R)-5-(3-Carbamoyl-4H-Pyridin-1-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-Oxo-3H-Purin-9-Yl)-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [[(2R,3S,4R,5R)-5-(3-Carbamoyl-4H-Pyridin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-Keto-3H-Purin-9-Yl)Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₂₁H₂₈N₆O₁₅P₂
• Molecular Weight: 666.43
• CAS Registry Number: 22052-73-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](OC[C@H]3O[C@@H](N2C=C(CC=C2)C(=O)N)[C@H](O)[C@@H]3O)(=O)O)(=O)O)[N]4C5=C(N=C4)C(=O)N=CN5
• InChI: 1S/C21H28N6O15P2/c22-17(32)9-2-1-3-26(4-9)20-15(30)13(28)10(40-20)5-38-43(34,35)42-44(36,37)39-6-11-14(29)16(31)21(41-11)27-8-25-12-18(27)23-7-24-19(12)33/h1,3-4,7-8,10-11,13-16,20-21,28-31H,2,5-6H2,(H2,22,32)(H,34,35)(H,36,37)(H,23,24,33)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
• InChIKey: WXWNHSQIXJHVJY-NNYOXOHSSA-N

Properties

• Density: 2.18g/cm³ (Cal.)
• Boiling point: 1113.174°C at 760 mmHg (Cal.)
• Flash point: 627.025°C (Cal.)