douglas firlin

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:480-18-2

mdl number:mfcd00006845

einecs number:207-543-4

rtecs number:none

brn number:5299277

pubchem number:24887336

physical property data

1. character:undetermined

2. density (g/ m³,25/4℃): undetermined

3. relative vapor density (g/cm³,air=1): not ok

4. melting point (ºc):230-233

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. saturated 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 the partition coefficient (water): not determined

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility: undetermined

toxicological data

1 , acute toxicity: intraperitoneal administration in ratsld50: 1200mg/kg, biochemistry –metabolism (intermediary) –influence inflammation or mediate inflammation;

mouse transperitoneallyld50: 985mg/kg, no details except lethal dose;

2、mutation data: microbial organisms test systemic mutations: bacteria –salmonella typhimurium: 100ug/plate

microbial organismtest system mutation: bacteria– salmonella typhimurium: 1660nmol/plate

cytogeneticsanalysistestsystem: rodents –hamster fibroblasts:1 gm/l/ 48h

ecological data

this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

1、 molar refractive index:73.31

2、 molar volume（m³/mol)：167.9

3、 isotonic specific volume (90.2k):549.9

4、 surface tension（dyne/cm)：114.8

5、 polarizability（10^-24 cm³）：29.06

compute chemical data

1. hydrophobic parameters calculate the reference value (xlogp):1.5

2. hydrogen bonding number of donors: 5

3. hydrogen bonding number of receptors: 7

4. rotatable number of chemical bonds: 1

5. interchange number of isomers:998

6. topological molecules polar surface area (tpsa):128

7. heavy atom quantity: 22

8. surface charge ：0

9. complexity ：428

10. isotope atomic number:0

11. determine the number of atomic stereocenters:2

12. uncertain number of atomic stereocenters:0

13. determine the number of stereocenters of chemical bonds:0

14. uncertain number of 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 manner and place it in a ventilated and dry place to avoid contact with other oxides.

synthesis method

the plant source is pinus pine[pseudotsuga taxifolia britt. (douglas fir)], hamamelidaceae plant mosquito mother tree(distylium racemosum sieb.et zucc .)etc.

purpose

anti-leukemiap₃₈₈cellular effects and inhibition of staphylococcus aureus , escherichia coli, shigella dysenteriae and typhoid bacilli.