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1165-28-2

1165-28-2 structural image
Product Name: 5B-PREGNANE-3A-17A-20B-TRIOL*CRYSTALLINE
Formula: C21H36O3
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COMPUTED DESCRIPTORS

Molecular Weight 336.5 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 336.26644501 g/mol
Monoisotopic Mass 336.26644501 g/mol
Topological Polar Surface Area 60.7 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 507
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes