Analyte Name

5-[(2-Amino-6-chloro-4-pyrimidinyl-13C2)amino]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]cyclopentanol

Molecular Formula

13C2 C22 H27 Cl N4 O3

Molecular Weight

456.935

Accurate Mass

456.184

SMILES

Nc1n[13c](Cl)c[13c](N[C@H]2C[C@H](OCc3ccccc3)[C@@H](COCc4ccccc4)[C@@H]2O)n1

InChI

InChI=1S/C24H27ClN4O3/c25-21-12-22(29-24(26)28-21)27-19-11-20(32-14-17-9-5-2-6-10-17)18(23(19)30)15-31-13-16-7-3-1-4-8-16/h1-10,12,18-20,23,30H,11,13-15H2,(H3,26,27,28,29)/t18-,19+,20+,23+/m1/s1/i21+1,22+1

IUPAC

(1S,2S,3S,5S)-5-[(2-amino-6-chloro(4,6-13C2)pyrimidin-4-yl)amino]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol

Unlabelled CAS Number

888015-87-0

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat