chrysophanol
Structural formula
| Business number | 052C |
|---|---|
| Molecular formula | C15H10O4 |
| Molecular weight | 254.24 |
| label |
aloe emodin, 1,8-Dihydroxy-3-hydroxymethylanthraquinone, 1,8-Dihydroxy-3-methylanthraquinone |
Numbering system
CAS number:481-74-3
MDL number:MFCD00001208
EINECS number:207-572-2
RTECS number:CB6725000
BRN number:1252300
PubChem number:24853726
Physical property data
1. Character: Undetermined
2. Density (g/ m3,25/4℃): Undetermined
3. Relative vapor density (g/cm3,AIR=1): Undetermined
4. Melting point (ºC): 194-198
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash Point (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturation vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of water) partition coefficient: Undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
Mutagenicity data: MicroorganismsTESTSystem mutation: Bacteria–Salmonella typhimurium:100 ug/plate;
Microbial organisms TESTSystem mutation: Escherichia coli:500ug/plate.
Ecological data
This substance may be harmful to the environment, special attention should be paid to water bodies.
Molecular structure data
1、 Molar refractive index:67.25
2、 Molar volume（m3/mol)：172.2
3、 Isotonic specific volume (90.2K):503.5
4、 Surface tension（dyne/cm)：73.1
5、 Polarizability(10-24cm3）：26.66
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 57
6. Topological molecule polar surface area 74.6
7. Number of heavy atoms: 19
8. Surface charge: 0
9. Complexity: 405
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
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
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
Save in a sealed, ventilated, dry place to avoid contact with other oxides.
Synthesis method
None yet
Purpose
It has antibacterial effects on a variety of bacteria, can relieve coughs, promote intestinal movement, promote nerve excitement and muscle paralysis, and also has a significant inhibitory effect on melanoma in mice.
