(2R,5S)-((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)-5-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-1,3-oxathiolate-13C,15N2

Analyte Name

(2R,5S)-((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)-5-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-1,3-oxathiolate-13C,15N2

CAS Number

1217650-64-0

Molecular Formula

C1713CH25F15N2O5S

Molecular Weight

403.44

Accurate Mass

403.1442

SMILES

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]2O[C@@H](CS2)[15N]3C=C(F)C(=O)[15NH][13C]3=O

InChI

InChI=1S/C18H25FN2O5S/c1-9(2)11-5-4-10(3)6-13(11)25-16(23)17-26-14(8-27-17)21-7-12(19)15(22)20-18(21)24/h7,9-11,13-14,17H,4-6,8H2,1-3H3,(H,20,22,24)/t10-,11+,13-,14+,17-/m1/s1/i18+1,20+1,21+1

IUPAC

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

Alternate CAS Number

1217650-64-0 (relative stereo)

Unlabelled CAS Number

1217687-74-5 (relative stereo)

SIL Type

Nitrogen, Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat