Analyte Name

beta-NADH-13C5 Disodium

Molecular Formula

C16 13C5 H27 N7 O14 P2 . 2Na

Molecular Weight

714.368

Accurate Mass

714.105

SMILES

NC(=O)C1=CN(C=CC1)[13C@@H]2O[13C@H]([13CH2]OP(=O)(O[Na])OP(=O)(O[Na])OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[13C@@H](O)[13C@H]2O

InChI

InChI=1S/C21H29N7O14P2.2Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33;;/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25);;/q;2*+1/p-2/t10-,11-,13-,14-,15-,16-,20-,21-;;/m1../s1/i5+1,10+1,13+1,15+1,20+1;;

IUPAC

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methoxy-sodiooxyphosphoryl]oxyphosphoryl]oxysodium

Unlabelled CAS Number

606-68-8

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat