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2097-89-4

2097-89-4 structural image
Product Name: (3alpha,5beta,7alpha,12alpha)-3,7,12-Tris(formyloxy)cholan-24-oic acid
Formula: C27H40O8
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COMPUTED DESCRIPTORS

Molecular Weight 492.6 g/mol
XLogP3 5.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 10
Exact Mass 492.27231823 g/mol
Monoisotopic Mass 492.27231823 g/mol
Topological Polar Surface Area 116 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 815
Isotope Atom Count 0
Defined Atom Stereocenter Count 11
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes