5α-cholestan-3-one

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:566-88-1

mdl number:mfcd00065901

einecs number:none

rtecs number:none

brn number:2625580

pubchem number:24893027

physical property data

1. physical property data

1. appearance: solid powder, white

2. melting point (ºc): 128-130

toxicological data

none

生�academic data

3. ecological data:

1, other harmful effects: this substance may be harmful to the environment, special attention should be paid to water bodies.

molecular structure data

5. molecular property data:

1. molar refractive index: 118.89

2. molar volume (m³/mol）：405.6

3. isotonic specific volume (90.2k):977.2

4. surface tension (dyne/cm):33.6

5. polarizability（10^-24cm³):47.13

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 8.9

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 5

5. number of tautomers: 3

6. topological molecule polar surface area 17.1

7. number of heavy atoms: 28

8. surface charge: 0

9. complexity: 579

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 8

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

stability and reactivity:

materials to avoid: oxides.

products to be decomposed: carbon monoxide and carbon dioxide, nitrogen oxides.

storage method

storage:

seal the secret container and store it in a sealed main container in a cool place dry position.

synthesis method

none

purpose