Analyte Name

Inosinic Acid Sodium Salt-d4

Molecular Formula

C10 D4 H7 N4 Na2 O8 P

Molecular Weight

396.194

Accurate Mass

396.036

SMILES

[2H]C([2H])(OP(=O)(O[Na])O[Na])[C@H]1O[C@@H](n2cnc3C(=O)N=CNc23)[C@]([2H])(O)[C@]1([2H])O

InChI

InChI=1S/C10H13N4O8P.2Na/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1/i1D2,6D,7D;;

IUPAC

[[dideuterio-[(2R,3S,4R,5R)-3,4-dideuterio-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy]-sodiooxyphosphoryl]oxysodium

Unlabelled CAS Number

4691-65-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat