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