Disodium;[[(2S,3R,4S,5S)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Oxido-Phosphoryl] [(2R,3S,4R,5S)-5-(3-Carbamoyl-4H-Pyridin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphate
[CAS# 108321-31-9]

Identification

• Name: Disodium;[[(2S,3R,4S,5S)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Oxido-Phosphoryl] [(2R,3S,4R,5S)-5-(3-Carbamoyl-4H-Pyridin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphate
• Synonyms: α-Nicotinamide adenine dinucleotide, reduced disodium salt; α-Dihydrodiphosphopyridine nucleotide; α-Dihydronicotinamide adenine dinucleotide
• Molecular Formula: C₂₁H₂₇N₇Na₂O₁₄P₂
• Molecular Weight: 709.40
• CAS Registry Number: 108321-31-9
• SMILES: [Na+].[Na+].[O-]P(=O)(OC[C@@H]3O[C@H](n1c2ncnc(N)c2nc1)[C@@H](O)[C@H]3O)OP([O-])(=O)OC[C@H]5O[C@H](N\4/C=C(/C(=O)N)C/C=C/4)[C@H](O)[C@@H]5O
• InChI: 1S/C21H29N7O14P2.2Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33;;/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25);;/q;2*+1/p-2/t10-,11+,13-,14+,15-,16+,20+,21+;;/m1../s1
• InChIKey: QRGNQKGQENGQSE-WPVKCSLBSA-L

Properties

• Refractive index: (Cal.)