Douglas firlin

Structural formula

Business number	051U
Molecular formula	C15H12O7
Molecular weight	304.3
label	Taxifolin, taxane, Douglas firrin, (2R,3R)-Dihydroquercetin, (2R,3R)-3,3′,4′,5,7-Pentahydroxyflavanone, (2R,3R)-Dihydroquercetin

• 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.