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102623-15-4 | β-D-Glucopyranuronic acid, 1-[2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoate]
CAS No: 102623-15-4 Catalog No: AG0007YU MDL No:
Product Description
Catalog Number:
AG0007YU
Chemical Name:
β-D-Glucopyranuronic acid, 1-[2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoate]
CAS Number:
102623-15-4
IUPAC Name:
(2S,3S,4S,5R,6S)-6-[2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI:
InChI=1S/C19H22Cl2O9/c1-18(2,30-9-5-3-8(4-6-9)10-7-19(10,20)21)17(27)29-16-13(24)11(22)12(23)14(28-16)15(25)26/h3-6,10-14,16,22-24H,7H2,1-2H3,(H,25,26)/t10?,11-,12-,13+,14-,16-/m0/s1
InChI Key:
GLUTXGWNWQGVOE-FIUVVILRSA-N
Properties
Complexity:
662
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
464.064g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
465.276g/mol
Monoisotopic Mass:
464.064g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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