2276-93-9
Product Name:
(4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Formula:
C24H40O3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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COMPUTED DESCRIPTORS
Molecular Weight | 376.6 g/mol |
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XLogP3 | 6.3 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 4 |
Exact Mass | 376.29774513 g/mol |
Monoisotopic Mass | 376.29774513 g/mol |
Topological Polar Surface Area | 57.5 Ų |
Heavy Atom Count | 27 |
Formal Charge | 0 |
Complexity | 574 |
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 |
PRODUCT INTRODUCTION
description
Isoallolithocholic acid is a bile acid.