Entecavir 3’’-O-beta-D-Glucuronide

Analyte Name

Entecavir 3''-O-beta-D-Glucuronide

Molecular Formula

C18 H23 N5 O9

Molecular Weight

453.403

Accurate Mass

453.15

SMILES

NC1=Nc2c(ncn2[C@H]3C[C@H](O)[C@@H](CO[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)C3=C)C(=O)N1

InChI

InChI=1S/C18H23N5O9/c1-5-6(3-31-17-12(27)10(25)11(26)13(32-17)16(29)30)8(24)2-7(5)23-4-20-9-14(23)21-18(19)22-15(9)28/h4,6-8,10-13,17,24-27H,1-3H2,(H,29,30)(H3,19,21,22,28)/t6-,7-,8-,10-,11-,12+,13-,17+/m0/s1

IUPAC

(2S,3S,4S,5R,6R)-6-[[(1R,3S,5S)-3-(2-amino-6-oxo-1H-purin-9-yl)-5-hydroxy-2-methylidenecyclopentyl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat