(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate

CAS Registry Number®

764659-72-5
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CAS Name

(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate

Molecular Formula

C18H26FN3O4S

Molecular Mass

399.48

Cite this Page

(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=764659-72-5 (retrieved 2024-06-23) (CAS RN: 764659-72-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H26FN3O4S/c1-9(2)11-5-4-10(3)6-13(11)25-16(23)17-26-14(8-27-17)22-7-12(19)15(20)21-18(22)24/h7,9-11,13-14,17H,4-6,8H2,1-3H3,(H2,20,21,24)/t10-,11+,13-,14+,17-/m1/s1

InChIKey

InChIKey=AUTCQXVTOIJYOT-KKVJTYSWSA-N

SMILES

O=C1N([C@H]2O[C@@H](C(O[C@H]3[C@H](C(C)C)CC[C@@H](C)C3)=O)SC2)C=C(F)C(N)=N1

Canonical SMILES

O=C1N=C(N)C(F)=CN1C2OC(SC2)C(=O)OC3CC(C)CCC3C(C)C

Other Names for this Substance

  • 1,3-Oxathiolane-2-carboxylic acid, 5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5S)-
  • (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate
  • (2R,5S)-5-(4-Amino-5-fluoro-2-oxo-1,2-dihydro-1-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl ester

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