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147126-62-3 | 1,3-Oxathiolane-2-carboxylic acid, 5-hydroxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5R)-
CAS No: 147126-62-3 Catalog No: AG001EMN MDL No:MFCD08273790
Product Description
Catalog Number:
AG001EMN
Chemical Name:
1,3-Oxathiolane-2-carboxylic acid, 5-hydroxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5R)-
CAS Number:
147126-62-3
Molecular Formula:
C14H24O4S
Molecular Weight:
288.4030
MDL Number:
MFCD08273790
IUPAC Name:
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate
InChI:
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-/m1/s1
InChI Key:
KXKDZLRTIFHOHW-CYRBOEJBSA-N
SMILES:
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]1SC[C@@H](O1)O)C(C)C
EC Number:
604-569-1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
288.14g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.402g/mol
Monoisotopic Mass:
288.14g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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