BDMAEE

Structural formula

Business number	051S
Molecular formula	C15H22O9
Molecular weight	346.33
label	aucubin, Eucommia glycosides, (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-Hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran- 1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol, Insect antifeedant; hair dye

• 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:479-98-1

MDL number:MFCD00136026

EINECS number:207-540-8

RTECS number:None

BRN number:50340

PubChem number:24879481

Physical property data

1. Character: White needle crystal
2. Density (g/mL,25/4℃): Undetermined

3. Relative vapor density (g/mL,Air=1): Undetermined

4. Melting point (ºC): 181

5. Boiling point (ºC,normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): Not determined

7. Refractive index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º): [a]21/D-163.1°(c=1.6,water)

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 for water: undetermined

17. Explosion upper limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: soluble in water , ethanol and methanol, almost insoluble in chloroform, ether and petroleum ether.

Toxicological data

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:79.20

2、 Molar Volume(m³/mol）：214.6

3、 Isotonic specific volume (90.2K):658.6

4、 Surface tension（dyne/cm)：88.6

5、 Polarizability（10^-24cm³）：31.39

Compute chemical data

1. Hydrophobic parameters Calculate reference value (XlogP）：-3

2. Hydrogen Bonding Number of donors: 6

3. Hydrogen Bonding Number of receptors: 9

4. Rotatable Number of chemical bonds: 4

5. Number of tautomers:

6. Topological molecules Polar surface area (TPSA）：149

7. Heavy atoms Quantity: 24

8. Surface charge ：0

9. Complexity ：507

10. Isotope atomic number:0

11. Determine the number of atomic stereocenters:9

12. Uncertain number of 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

Save in sealed format.

Purpose

Biochemical research.

Anti-tumor［ 5]; anti-hepatitis virus [6]; plant growth inhibition [7 >].

Prostaglandins Synthesis [8]; insect antifeedant [9]; hair dye [10].