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NADP sodium salt

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Description
NADP sodium salt is a coenzyme that is widely distributed in living matter. Participates in oxidation-reduction reactions.
CAS Number
1184-16-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
765.39
Molecular Formula
C21H27N7NaO17P3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Nadide phosphate monosodium
CAS Number1184-16-3
PubChem CID5702267
IUPAC Namesodium [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate
Molecular FormulaC21H27N7NaO17P3
Molecular Weight765.4
Topological Polar Surface Area370
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count21
Rotatable Bond Count13
Heavy Atom Count49
Formal Charge0
Complexity1290
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)OP(=O)(O)[O-])O)O)O)C(=O)N.[Na+]
InChI
InChI=1S/C21H28N7O17P3.Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39);/q;+1/p-1/t10-,11-,13-,14-,15-,16-,20-,21-;/m1./s1
InChIKey
JNUMDLCHLVUHFS-QYZPTAICSA-M
Chemical Structure
2D Structure
2D structure of Nadide phosphate monosodium
CAS: 1184-16-3
CID: 5702267
Formula: C21H27N7NaO17P3
MW: 765.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight765.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count21
Rotatable Bond Count13
Exact Mass765.05739769
Monoisotopic Mass765.05739769
Topological Polar Surface Area370 Ų
Heavy Atom Count49
Formal Charge0
Complexity1290
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes