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EZETIMIBE HYDROXY GLUCURONIDE

CAS No.:
536709-33-8
Catalog Number:
AG00DA4E
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DA4E
Chemical Name:
EZETIMIBE HYDROXY GLUCURONIDE
CAS Number:
536709-33-8
MDL Number:
MFCD08063722
IUPAC Name:
(2S,3S,4S,5R,6R)-6-[(1S)-1-(4-fluorophenyl)-3-[(2S,3R)-1-(4-fluorophenyl)-2-(4-hydroxyphenyl)-4-oxoazetidin-3-yl]propoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI:
InChI=1S/C30H29F2NO9/c31-17-5-1-15(2-6-17)22(41-30-26(37)24(35)25(36)27(42-30)29(39)40)14-13-21-23(16-3-11-20(34)12-4-16)33(28(21)38)19-9-7-18(32)8-10-19/h1-12,21-27,30,34-37H,13-14H2,(H,39,40)/t21-,22+,23-,24+,25+,26-,27+,30-/m1/s1
InChI Key:
MPXLJVWGRVISEQ-ADEYADIWSA-N
Properties
Complexity:
921  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
585.181g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
585.557g/mol
Monoisotopic Mass:
585.181g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties