Beta-nicotinamide adenine dinucleotide disodium salt

• CAS: 606-68-8
• Catalog Number: ACM606688
• Category: Other Products
• Molecular Weight: 689.44
• Molecular Formula: C21H30N7NaO14P2
• Synonyms: Nadide sodium
• IUPAC Name: Disodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
• SMILES: C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O.[Na+].[Na+]
• InChI: 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
• InChI Key: QRGNQKGQENGQSE-WUEGHLCSSA-L
• Melting Point: 140-142 °C
• Flash Point: 608 °C
• Solubility: Soluble in water
• Appearance: Yellow powder
• Storage: Inert atmosphere, store in freezer, under -20 °C
• Complexity: 1210
• Exact Mass: 709.08866112
• Hazard Statements: Xn
• Isomeric SMILES: C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O.[Na+].[Na+]
• Monoisotopic Mass: 709.08866112
• Safety Description: 26-36/37/39-45-24/25-36/37
• Topological Polar Surface Area: 323 Ų

Custom Q&A

What is the molecular formula of Beta-nicotinamide adenine dinucleotide disodium salt?

The molecular formula is C21H27N7Na2O14P2.

What is the molecular weight of Beta-nicotinamide adenine dinucleotide disodium salt?

The molecular weight is 709.4 g/mol.

What are some synonyms for Beta-nicotinamide adenine dinucleotide disodium salt?

Some synonyms include Disodium nicotinamide adenine dinucleotide, Disodium NADH, and NADH disodium salt.

What is the InChIKey for Beta-nicotinamide adenine dinucleotide disodium salt?

The InChIKey is QRGNQKGQENGQSE-WUEGHLCSSA-L.

What is the Canonical SMILES for Beta-nicotinamide adenine dinucleotide disodium salt?

The Canonical SMILES is C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O.[Na+].[Na+].

What is the European Community (EC) Number for Beta-nicotinamide adenine dinucleotide disodium salt?

The European Community (EC) Number is 210-123-3.

How many hydrogen bond donor counts are there in Beta-nicotinamide adenine dinucleotide disodium salt?

There are 6 hydrogen bond donor counts.

What is the hydrogen bond acceptor count for Beta-nicotinamide adenine dinucleotide disodium salt?

The hydrogen bond acceptor count is 19.

What is the topological polar surface area of Beta-nicotinamide adenine dinucleotide disodium salt?

The topological polar surface area is 323 Ų.

What is the complexity value of Beta-nicotinamide adenine dinucleotide disodium salt?

The complexity value is 1210.