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117470-88-9 | 1,3,2-Dioxathiolane-4,5-dicarboxylic acid, bis(1-methylethyl) ester, 2,2-dioxide, (4R,5R)- (9CI)
CAS No: 117470-88-9 Catalog No: AG000ECR MDL No:
Product Description
Catalog Number:
AG000ECR
Chemical Name:
1,3,2-Dioxathiolane-4,5-dicarboxylic acid, bis(1-methylethyl) ester, 2,2-dioxide, (4R,5R)- (9CI)
CAS Number:
117470-88-9
Molecular Formula:
C10H16O8S
Molecular Weight:
296.2942
IUPAC Name:
dipropan-2-yl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate
InChI:
InChI=1S/C10H16O8S/c1-5(2)15-9(11)7-8(10(12)16-6(3)4)18-19(13,14)17-7/h5-8H,1-4H3
InChI Key:
AYLBDDPIVXJHHE-UHFFFAOYSA-N
SMILES:
CC(OC(=O)[C@@H]1OS(=O)(=O)O[C@H]1C(=O)OC(C)C)C
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.29g/mol
Monoisotopic Mass:
296.057g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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