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Beta-Nadh Disodium Salt

CAT: 1299-RG-A262252-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A262252-01Size:10 mg
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CAS Number
606-68-8
Synonyms
Beta-NADH Disodium Salt
Molecular Formula
C21H29N7O14P2. 2Na
Molecular Weight
665.45 2*22.99
Target Alternative Name
Nadh
Product Name Synonym
Beta-NADH Disodium Salt

Chemical Information

dihydronicotinamide-adenine dinucleotide, disodium salt

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CAS Number606-68-8
PubChem CID2724710
IUPAC Namedisodium;[[(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
Molecular FormulaC21H27N7Na2O14P2
Molecular Weight709.4
Topological Polar Surface Area323
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count19
Rotatable Bond Count11
Heavy Atom Count46
Formal Charge0
Complexity1210
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+]
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
InChIKey
QRGNQKGQENGQSE-WUEGHLCSSA-L
Chemical Structure
2D Structure
2D structure of dihydronicotinamide-adenine dinucleotide, disodium salt
CAS: 606-68-8
CID: 2724710
Formula: C21H27N7Na2O14P2
MW: 709.4
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight709.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count19
Rotatable Bond Count11
Exact Mass709.08866112
Monoisotopic Mass709.08866112
Topological Polar Surface Area323 Ų
Heavy Atom Count46
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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