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


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
Product Number: AG001EMN(AGN-PC-0PZVD0)
Synonyms:
MDL No:
Molecular Formula: C14H24O4S
Molecular Weight: 288.4030

Identification/Properties


Computed Properties
Molecular Weight:
288.402g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
288.14g/mol
Monoisotopic Mass:
288.14g/mol
Topological Polar Surface Area:
81.1A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
321
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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