1,3-Oxathiolane-2-carboxylic acid, 5-(acetyloxy)-, (2R-trans)-


Chemical Name: 1,3-Oxathiolane-2-carboxylic acid, 5-(acetyloxy)-, (2R-trans)-
CAS Number: 147027-05-2
Product Number: AG001EJI(AGN-PC-0O3FBP)
Synonyms:
MDL No:
Molecular Formula: C6H8O5S
Molecular Weight: 192.1897

Identification/Properties


Computed Properties
Molecular Weight:
192.185g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
192.009g/mol
Monoisotopic Mass:
192.009g/mol
Topological Polar Surface Area:
98.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
204
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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