5α-cholestan-3-one

5α-cholestan-3-one structural formula

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. Polarizability10-24cm3):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

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.polyether-factory.com/archives/20071

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