Analyte Name

beta-NADP-d4 Sodium Salt

Molecular Formula

C21H23D4N7NaO17P3

Molecular Weight

769.41

Accurate Mass

769.08

SMILES

O=P(O)(O)O[C@H]1[C@H](N2C3=NC=NC(N)=C3N=C2)O[C@@H]([C@H]1O)COP(OP(OC[C@H]4O[C@@H]([N+]5=C([2H])C([2H])=C([2H])C(C(N)=O)=C5[2H])[C@@H]([C@@H]4O)O)([O-])=O)(O)=O.[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);/t10-,11-,13-,14-,15-,16-,20-,21-;/m1./s1/i1D,2D,3D,4D;

IUPAC

1-((2R,3R,4S,5R)-5-((((((((2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoylpyridin-1-ium-2,4,5,6-d4, sodium salt

Unlabelled CAS Number

1184-16-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat