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Β-Nicotinamide Adenine Dinucleotide

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β-Nicotinamide Adenine Dinucleotide / CAS : 53-84-9

Appearance White Powder UN 0.0
HS 29349990 DG Class 0.0
Synonyms Coenzyme I Hydrate,Oxidized form; Coenzyme I; Beta-Diphosphopyrid; β-Diphosphopyridine Nucleotide Hydrate,Oxidized form; Cozymase Hydrate,Oxidized form; beta-Diphosphopyridine Nucleotide; β-DPN Hydrate,Oxidized form; β-Nicotinamide Adenine Dinucleotide Hydrate; Diphosphopyridine Nucleotide; β-NAD Hydrate,Oxidized form
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Properties

Summary

Formula
C21H27N7O14P2
Molecular Mass
663.42500
Exact Mass
663.10900
PSA
340.71000
Logp
-1.29620
IUPAC
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
SMILES
C1=CC(=C[N+](=C1)[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)C(=O)N

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Biochemicals

Chemical and Physical Properties

Melting Point
140-142 °C (decomp)
Appearance
White Powder
Acidity and Basicity
acidness

Export information

HS Code
29349990
Export Rebate
10%
UN No.
0.0
DG-Class
0.0
Risk Code
R36-68/20/21/22-20/21/22-40-22
Safety Label
Xn,F,Xi

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