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34296-97-4 | clioquinol glucuronide
CAS No: 34296-97-4 Catalog No: AG00CRY8 MDL No:
Product Description
Catalog Number:
AG00CRY8
Chemical Name:
clioquinol glucuronide
CAS Number:
34296-97-4
IUPAC Name:
(2S,3S,4S,5R,6S)-6-(5-chloro-7-iodoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI:
InChI=1S/C15H13ClINO7/c16-6-4-7(17)12(8-5(6)2-1-3-18-8)24-15-11(21)9(19)10(20)13(25-15)14(22)23/h1-4,9-11,13,15,19-21H,(H,22,23)/t9-,10-,11+,13-,15+/m0/s1
InChI Key:
ZXPACOCAPRBPFP-BPJKLTAVSA-N
UNII:
A1LZE07SGO
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
480.943g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
481.623g/mol
Monoisotopic Mass:
480.943g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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