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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H24O4S
Molecular Weight 288.403
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1S,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate

SMILES

CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)[C@@H]2O[C@@H](O)CS2

InChI

InChIKey=KXKDZLRTIFHOHW-SVPLCASGSA-N
InChI=1S/C14H24O4S/c1-8(2)10-5-4-9(3)6-11(10)17-13(16)14-18-12(15)7-19-14/h8-12,14-15H,4-7H2,1-3H3/t9-,10+,11-,12+,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H24O4S
Molecular Weight 288.403
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:29:41 GMT 2025
Edited
by admin
on Wed Apr 02 17:29:41 GMT 2025
Record UNII
KWZ87K294T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1S,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate
Systematic Name English
1,3-Oxathiolane-2-carboxylic acid, 5-hydroxy-, (1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5R)
Preferred Name English
Code System Code Type Description
FDA UNII
KWZ87K294T
Created by admin on Wed Apr 02 17:29:41 GMT 2025 , Edited by admin on Wed Apr 02 17:29:41 GMT 2025
PRIMARY
PUBCHEM
95730865
Created by admin on Wed Apr 02 17:29:41 GMT 2025 , Edited by admin on Wed Apr 02 17:29:41 GMT 2025
PRIMARY
CAS
479406-75-2
Created by admin on Wed Apr 02 17:29:41 GMT 2025 , Edited by admin on Wed Apr 02 17:29:41 GMT 2025
PRIMARY