5α-cholestan-3-one
Structural formula
| Business number | 05TQ |
|---|---|
| Molecular formula | C27H46O |
| Molecular weight | 386.65 |
| label |
5-alpha-cholestan-3-one, 3-Keto-5α-cholestane, Medicine |
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
