Analyte Name

2'/3'-O-Succinyl-D4 ADP Ribose Disodium Salt (Regioisomeric Mixture)

Molecular Formula

C19H21D4N5Na2O17P2

Molecular Weight

707.38

Accurate Mass

707.08

SMILES

O=P(O)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(N=C2)C(N)=NC=N3)O)O)OP(OC[C@@H]4[C@H]([C@H](C(O4)O)OC(C([2H])(C([2H])(C(O[Na])=O)[2H])[2H])=O)O)(O[Na])=O.O=P(O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C7=C(N=C6)C(N)=NC=N7)O)O)OP(OC[C@H]8OC([C@@H]([C@@H]8OC(C([2H])(C([2H])(C(O[Na])=O)[2H])[2H])=O)O)O)(O[Na])=O

InChI

InChI=1S/2C19H27N5O17P2.4Na/c20-16-11-17(22-5-21-16)24(6-23-11)18-13(29)12(28)7(38-18)3-36-42(32,33)41-43(34,35)37-4-8-15(14(30)19(31)39-8)40-10(27)2-1-9(25)26;20-16-11-17(22-5-21-16)24(6-23-11)18-14(30)12(28)7(38-18)3-36-42(32,33)41-43(34,35)37-4-8-13(29)15(19(31)39-8)40-10(27)2-1-9(25)26;;;;/h2*5-8,12-15,18-19,28-31H,1-4H2,(H,25,26)(H,32,33)(H,34,35)(H2,20,21,22);;;;/q;;4*+1/p-4/t2*7-,8-,12-,13-,14-,15-,18-,19?;;;;/m11..../s1/i2*1D2,2D2;;;;

IUPAC

sodium 4-(((2R,3S,4R)-2-((((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-4,5-dihydroxytetrahydrofuran-3-yl)oxy)-4-oxobutanoate-2,2,3,3-d4 4-(((3R,4R,5R)-5-((((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-2,4-dihydroxytetrahydrofuran-3-yl)oxy)-4-oxobutanoate-2,2,3,3-d4

Unlabelled CAS Number

1312074-25-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat