Home Other Building Blocks Atorvastatin Acyl-b-D-glucuronide

Atorvastatin Acyl-b-D-glucuronide

CAS No.:
463962-58-5
Catalog Number:
AG00DFGN
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DFGN
Chemical Name:
Atorvastatin Acyl-b-D-glucuronide
CAS Number:
463962-58-5
MDL Number:
MFCD15145449
IUPAC Name:
(3R,6R)-6-[(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI:
InChI=1S/C39H43FN2O11/c1-21(2)31-30(37(49)41-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(40)16-14-23)42(31)18-17-26(43)19-27(44)20-28(45)52-39-35(48)33(46)34(47)36(53-39)38(50)51/h3-16,21,26-27,33-36,39,43-44,46-48H,17-20H2,1-2H3,(H,41,49)(H,50,51)/t26-,27-,33?,34-,35?,36?,39+/m1/s1
InChI Key:
ZUTLXLYYUSGCQH-MEGOBGROSA-N
Properties
Complexity:
1190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
734.285g/mol
Formal Charge:
0
Heavy Atom Count:
53  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
734.774g/mol
Monoisotopic Mass:
734.285g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
208A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties