1,3-Oxathiolane-2-carboxylic acid, 5-(acetyloxy)-,(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5R)-


Chemical Name: 1,3-Oxathiolane-2-carboxylic acid, 5-(acetyloxy)-,(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5R)-
CAS Number: 147027-09-6
Product Number: AG001EJG(AGN-PC-0PZP21)
Synonyms:
MDL No:
Molecular Formula: C16H26O5S
Molecular Weight: 330.4396

Identification/Properties


Computed Properties
Molecular Weight:
330.439g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
6
Exact Mass:
330.15g/mol
Monoisotopic Mass:
330.15g/mol
Topological Polar Surface Area:
87.1A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
411
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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