Analyte Name

(2R,5S)-L-Menthol-5-(4-amino-2-oxo-1(2H)-pyrimidinyl-15N2,13C)-1,3-oxathiolane-2-carboxylate

CAS Number

1322623-13-1

Molecular Formula

C1713CH27N15N2O4S

Molecular Weight

384.47

Accurate Mass

384.1697

SMILES

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C2O[C@@H](CS2)[15N]3C=CC(=[15N][13C]3=O)N

InChI

InChI=1S/C18H27N3O4S/c1-10(2)12-5-4-11(3)8-13(12)24-16(22)17-25-15(9-26-17)21-7-6-14(19)20-18(21)23/h6-7,10-13,15,17H,4-5,8-9H2,1-3H3,(H2,19,20,23)/t11-,12+,13-,15+,17?/m1/s1/i18+1,20+1,21+1

IUPAC

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (5S)-5-(4-amino-2-oxo(2^{13}C,1,3-^{15}N_{2})pyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate

Unlabelled CAS Number

147027-10-9

SIL Type

Carbon, Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat