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47739-41-3

47739-41-3 structural image
Product Name: (17R,21-alpha)-17,21-Dihydroxy-4-(2-hydroxy-3-piperidinopropyl)ajmalan ium
Formula: C28H42N3O3
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COMPUTED DESCRIPTORS

Molecular Weight 468.7 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 468.32261721 g/mol
Monoisotopic Mass 468.32261721 g/mol
Topological Polar Surface Area 67.2 Ų
Heavy Atom Count 34
Formal Charge 1
Complexity 806
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 6
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes