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35119-91-6 | quinol glucuronide
CAS No: 35119-91-6 Catalog No: AG00D22E MDL No:
Product Description
Catalog Number:
AG00D22E
Chemical Name:
quinol glucuronide
CAS Number:
35119-91-6
IUPAC Name:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxane-2-carboxylic acid
InChI:
InChI=1S/C12H14O8/c13-5-1-3-6(4-2-5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1
InChI Key:
KCWGTTYNHQOGSJ-GOVZDWNOSA-N
UNII:
7UQ83N5MHX
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
286.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
286.236g/mol
Monoisotopic Mass:
286.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Urinary propofol metabolites in early life after single intravenous bolus. | British journal of anaesthesia 20081201 |
| Recovery and long-term renal excretion of propofol, its glucuronide, and two di-isopropylquinol glucuronides after propofol infusion during surgery. | British journal of anaesthesia 20080801 |
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