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1384270-00-1 | β-D-Glucopyranosiduronic acid, 4-methylphenyl 1-thio-, methyl ester, 2,3,4-tris(2-methylpropanoate)
CAS No: 1384270-00-1 Catalog No: AG001944 MDL No:
Product Description
Catalog Number:
AG001944
Chemical Name:
β-D-Glucopyranosiduronic acid, 4-methylphenyl 1-thio-, methyl ester, 2,3,4-tris(2-methylpropanoate)
CAS Number:
1384270-00-1
IUPAC Name:
methyl 6-(4-methylphenyl)sulfanyl-3,4,5-tris(2-methylpropanoyloxy)oxane-2-carboxylate
InChI:
InChI=1S/C26H36O9S/c1-13(2)22(27)32-18-19(33-23(28)14(3)4)21(34-24(29)15(5)6)26(35-20(18)25(30)31-8)36-17-11-9-16(7)10-12-17/h9-15,18-21,26H,1-8H3
InChI Key:
OZYYERIRINHSJR-UHFFFAOYSA-N
Properties
Complexity:
773
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
524.208g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
524.625g/mol
Monoisotopic Mass:
524.208g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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