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NADP disodium salt

CAT: 0127-BUP17296-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP17296-01Size:25 mg
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CAS Number
24292-60-2
Synonyms
Disodium NADP, Triphosphopyridine nucleotide disodium salt
Purity
=95%
Smiles
[Na+].[Na+].NC(=O)C1=CC=C[N+](=C1)C2OC(CO[P]([O-])(=O)O[P]([O-])(=O)OCC3OC(C(O[P](O)([O-])=O)C3O)[N]4C=NC5=C4N=CN=C5N)C(O)C2O

Chemical Information

Nadide phosphate disodium
CAS Number24292-60-2
PubChem CID2734411
IUPAC Namedisodium;[(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] phosphate
Molecular FormulaC21H26N7Na2O17P3
Molecular Weight787.4
Topological Polar Surface Area373
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count21
Rotatable Bond Count12
Heavy Atom Count50
Formal Charge0
Complexity1280
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+].[Na+]
InChI
InChI=1S/C21H28N7O17P3.2Na/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;2*+1/p-2/t10-,11-,13-,14-,15-,16-,20-,21-;;/m1../s1
InChIKey
WSDDJLMGYRLUKR-WUEGHLCSSA-L
Chemical Structure
2D Structure
2D structure of Nadide phosphate disodium
CAS: 24292-60-2
CID: 2734411
Formula: C21H26N7Na2O17P3
MW: 787.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight787.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count21
Rotatable Bond Count12
Exact Mass787.03934194
Monoisotopic Mass787.03934194
Topological Polar Surface Area373 Ų
Heavy Atom Count50
Formal Charge0
Complexity1280
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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