CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White or faintly yellow solid; Nearly odorless; [HSDB] Beige solid; [Sigma-Aldrich MSDS] |
|---|---|
| Color/Form | White or faintly yellow pearly granules or crystals |
| Odor | Almost odorless |
| Boiling Point | 360 °C |
| Melting Point | 148.5 °C |
| Solubility | 0.095 mg/L (at 30 °C) |
| Density | 1.067 @ 20 °C/4 °C |
| Vapor Pressure | VP: 0.171 mm Hg at 149 °C |
| Optical Rotation | Specific rotation: -34 to 38 deg @ 25 °C |
| Decomposition | When heated to decomposition it emit acrid smoke and irritating fumes. |
| Collision Cross Section | 204.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | Crystal from acetone; MP 84 °C; optical rotation (20 °C/D) = -45.8 deg (c = 1.2 in chloroform). /Methyl ether/ |
| Chemical Classes | Biological Agents -> Cholesterol and Derivatives |
COMPUTED DESCRIPTORS
| Molecular Weight | 386.7 g/mol |
|---|---|
| XLogP3 | 8.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 386.354866087 g/mol |
| Monoisotopic Mass | 386.354866087 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 591 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| 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
Cholesterol is a cholestanoid consisting of cholestane having a double bond at the 5,6-position as well as a 3beta-hydroxy group. It has a role as a human metabolite, a mouse metabolite, a Daphnia galeata metabolite and an algal metabolite. It is a 3beta-sterol, a cholestanoid, a C27-steroid and a 3beta-hydroxy-Delta(5)-steroid.