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117470-90-3 | 1,3,2-Dioxathiolane-4,5-dicarboxylic acid, 4,5-dimethyl ester, 2,2-dioxide, (4R,5R)-
CAS No: 117470-90-3 Catalog No: AG000ECQ MDL No:
Product Description
Catalog Number:
AG000ECQ
Chemical Name:
1,3,2-Dioxathiolane-4,5-dicarboxylic acid, 4,5-dimethyl ester, 2,2-dioxide, (4R,5R)-
CAS Number:
117470-90-3
Molecular Formula:
C6H8O8S
Molecular Weight:
240.1879
IUPAC Name:
dimethyl (4R,5R)-2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate
InChI:
InChI=1S/C6H8O8S/c1-11-5(7)3-4(6(8)12-2)14-15(9,10)13-3/h3-4H,1-2H3/t3-,4-/m1/s1
InChI Key:
YZPCWPMIVKWDOZ-QWWZWVQMSA-N
SMILES:
COC(=O)[C@@H]1OS(=O)(=O)O[C@H]1C(=O)OC
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
239.994g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.182g/mol
Monoisotopic Mass:
239.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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