lithocholic acid

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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

resource:allhdi.com