Defluoro Atorvastatin Acetonide tert-Butyl Ester


Chemical Name: Defluoro Atorvastatin Acetonide tert-Butyl Ester
CAS Number: 1105067-91-1
Product Number: AG0083W9(AGN-PC-0WAGJ8)
Synonyms:
MDL No:
Molecular Formula: C40H48N2O5
Molecular Weight: 636.8195

Identification/Properties


Computed Properties
Molecular Weight:
636.833g/mol
XLogP3:
7.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
12
Exact Mass:
636.356g/mol
Monoisotopic Mass:
636.356g/mol
Topological Polar Surface Area:
78.8A^2
Heavy Atom Count:
47
Formal Charge:
0
Complexity:
1000
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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