Analyte Name

3’,5’-Di-O-benzyl Entecavir-13C2,15N

Molecular Formula

13C2 C24 H27 15N N4 O3

Molecular Weight

460.503

Accurate Mass

460.215

SMILES

NC1=N[13c]2c([15n]cn2[C@H]3C[C@H](OCc4ccccc4)[C@@H](COCc5ccccc5)C3=C)[13C](=O)N1

InChI

InChI=1S/C26H27N5O3/c1-17-20(15-33-13-18-8-4-2-5-9-18)22(34-14-19-10-6-3-7-11-19)12-21(17)31-16-28-23-24(31)29-26(27)30-25(23)32/h2-11,16,20-22H,1,12-15H2,(H3,27,29,30,32)/t20-,21-,22-/m0/s1/i24+1,25+1,28+1

IUPAC

2-amino-9-[(1S,3R,4S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-1H-purin-6-one

Unlabelled CAS Number

142217-81-0

SIL Type

Carbon, Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat