Nicotinamide adenine dinucleotide lithium salt
[CAS# 64417-72-7]

Identification

• Name: Nicotinamide adenine dinucleotide lithium salt
• Synonyms: Lithium (2R,3S,4R,5R)-2-[[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-5-(3-Carbamoylpyridin-1-Ium-1-Yl)Tetrahydrofuran-3,4-Diolate; Lithium (2R,3S,4R,5R)-2-[[[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxymethyl]-5-(3-Carbamoyl-1-Pyridin-1-Iumyl)Tetrahydrofuran-3,4-Diolate; Lithium (2R,3R,4S,5R)-2-(3-Aminocarbonylpyridin-1-Ium-1-Yl)-5-[[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]Oxolane-3,4-Diolate
• Molecular Formula: C₂₁H₂₆LiN₇O₁₄P₂
• Molecular Weight: 669.36
• CAS Registry Number: 64417-72-7
• EINECS: 264-884-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](OC[C@H]3O[C@@H]([N+]2=CC(=CC=C2)C(=O)N)[C@H]([O-])[C@@H]3[O-])(=O)O)(=O)O)[N]4C5=C(N=C4)C(=NC=N5)N.[Li+]
• InChI: 1S/C21H26N7O14P2.Li/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;/h1-4,7-8,10-11,13-16,20-21,30,32H,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25);/q-1;+1/t10-,11-,13-,14-,15-,16-,20-,21-;/m1./s1
• InChIKey: VKCIQQTYIUNWEW-QYZPTAICSA-N