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Disodium NADP (~90%)

CAT: 0572-TRC-N242920-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N242920-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
24292-60-2
Hazard Statement
No Data Available
Smiles
[Na+].[Na+].NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@H]([C@H](OP(=O)(O)[O-])[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
Molecular Formula
C21 H26 N7 O17 P3 . 2 Na
Molecular Weight
787.369
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,
Additionnal Information
IUPAC name: disodium;[(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-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

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...
View on PubChemRaw 3D data
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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