Triphosphopyridine nucleotide disodium salt

Details:

1. Introduction of Triphosphopyridine nucleotide disodium salt

The Triphosphopyridine nucleotide disodium salt, with its CAS NO 24292-60-2, is a kind of Yellowish powder. It has synonyms of Disodium NADP;NAD sodium phosphate and beta-Nicotinamide adenine dinucleotide phosphate disodium salt.
 

2. Properties of Triphosphopyridine nucleotide disodium salt

Molecular Weight 787.368665 [g/mol]
Molecular Formula C21H26N7Na2O17P3
H-Bond Donor 6
H-Bond Acceptor 21
Rotatable Bond Count 13
Tautomer Count 6
Exact Mass 787.039341
MonoIsotopic Mass 787.039341
Topological Polar Surface Area 373
Heavy Atom Count 50
Complexity 1280
Undefined Atom Stereocenter Count 8

3. Structure descriptors of Triphosphopyridine nucleotide disodium salt

IUPAC Name: disodium;[2-(6-aminopurin-9-yl)-5-[[[[5-(3-carbamoylpyridin-1-ium-1-yl)-
3,
4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]
oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphateInChI: 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-2InChIKey: WSDDJLMGYRLUKR-UHFFFAOYSA-LCanonical SMILES : C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C=
NC5=C4N=CN=C5N)OP(=O)(O)[O-])O)O)O)C(=O)N.[Na+].[Na+]