Lithocholic acid
Structural formula
| Business number | 04TG |
|---|---|
| Molecular formula | C24H40O3 |
| Molecular weight | 376.57 |
| label |
lithocholic acid, cholelithic acid, 3A-hydroxycholanic acid, lithocholic acid, 3-HYDROXYCHOLANIC ACID, 3ALPHA-HYDROXYCHOLANIC ACID, 3ALPHA-HYDROXY-5BETA-CHOLANIC ACID, 3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID, 5BETA-CHOLAN-24-OIC ACID-3A-OL, 5BETA-CHOLAN-24-OIC ACID-3ALPHA-OL, 5BETA-CHOLANIC ACID-3ALPHA-OL, LITHOCHOLIC ACID, Lipoids |
Numbering system
CAS number:434-13-9
MDL number:MFCD00003682
EINECS number:207-099-1
RTECS number:FZ2275000
BRN number:None
PubChem number:24896429
Physical property data
一 , physical property data
Traits ：Hexagonal leaflet crystals are obtained from alcohol and from acetic acid Prismatic crystal
Density (g/mL,25/4℃): Not available
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC): 184-186
Boiling point (ºC, normal pressure): Not available
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: Not available
Flash Point (ºC): Not available
Optical rotation (º): 33.7
Spontaneous combustion Point or ignition temperature (ºC): Not available
Steam Pressure (kPa, 25ºC): Not available
saturated Vapor pressure (kPa, 60ºC): Not available
Burn Heat (KJ/mol):Not available
Critical Temperature (ºC): Not available
Critical Pressure (KPa): Not available
oil and water Log value of the (octanol/water) partition coefficient:Not available
Explosion Upper limit (%, V/V): Not available
Explosion Lower limit (%,V/V): Not available
Dissolve Properties:Easily soluble in hot alcohol, slightly soluble in glacial acetic acid , insoluble in petroleum ether, gasoline and water
Toxicological data
Two , Toxicological data:
Acute Toxicity:Not available .
Ecological data
Three , Ecological data:
1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.
Molecular structure data
1、 Molar refractive index:108.05
2、 Molar volume（m3/mol)：350.8
3、 Isotonic specific volume (90.2K):891.0
4、 Surface tension（dyne/cm)：41.5
5、 Polarizability(10-24cm3）：42.83
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 6.3
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 57.5
7. Number of heavy atoms: 27
8. Surface charge: 0
9. Complexity: 574
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 9
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None
