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22145-68-2

22145-68-2 structural image
Product Name: 25-HydroxyprovitaMin D3
Formula: C27H44O2
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COMPUTED DESCRIPTORS

Molecular Weight 400.6 g/mol
XLogP3 6.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 400.334130642 g/mol
Monoisotopic Mass 400.334130642 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 689
Isotope Atom Count 0
Defined Atom Stereocenter Count 7
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Cholesta-5,7-dien-3beta,25-diol is a cholestanoid that is 7-dehydrocholesterol carrying an additional hydroxy substituent at position 25. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a 25-hydroxy steroid, a cholestanoid, a 3beta-hydroxy-Delta(5)-steroid and a C27-steroid. It is functionally related to a cholesta-5,7-dien-3beta-ol.