Analyte Name

Brivudine 5'-Monophosphate

CAS Number

80860-82-8

Molecular Formula

C11 H14 Br N2 O8 P

Molecular Weight

413.115

Accurate Mass

411.967

SMILES

O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=C(\C=C\Br)C(=O)NC2=O

InChI

InChI=1S/C11H14BrN2O8P/c12-2-1-6-4-14(11(17)13-10(6)16)9-3-7(15)8(22-9)5-21-23(18,19)20/h1-2,4,7-9,15H,3,5H2,(H,13,16,17)(H2,18,19,20)/b2-1+/t7-,8+,9+/m0/s1

IUPAC

[(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat