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Atorvastatin Acetonide

CAS No.:
581772-29-4
Catalog Number:
AG00EESO
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00EESO
Chemical Name:
Atorvastatin Acetonide
CAS Number:
581772-29-4
MDL Number:
MFCD18379183
IUPAC Name:
2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
InChI:
InChI=1S/C36H39FN2O5/c1-23(2)33-32(35(42)38-27-13-9-6-10-14-27)31(24-11-7-5-8-12-24)34(25-15-17-26(37)18-16-25)39(33)20-19-28-21-29(22-30(40)41)44-36(3,4)43-28/h5-18,23,28-29H,19-22H2,1-4H3,(H,38,42)(H,40,41)/t28-,29-/m1/s1
InChI Key:
YFMKJVDVNPLQFO-FQLXRVMXSA-N
Properties
Complexity:
941  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
598.284g/mol
Formal Charge:
0
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
598.715g/mol
Monoisotopic Mass:
598.284g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5  
Properties