3-indoloxy-β-glucoside

Structural formula

Business number	053C
Molecular formula	C14H17NO6
Molecular weight	295.29
label	3-indolyl-beta-D-glucopyranoside, 3-(β-D-Glucosido)indole, Plant indican

• 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:487-60-5

MDL number:MFCD00047169

EINECS number:None

RTECS number:None

BRN number:None

PubChem number:24896044

Physical property data

1. Character: white powder

2. Density (g/ m³,25/4℃): Undetermined

3. Relative vapor density ( g/cm³ ,AIR=1): Undetermined

4. Melting point (ºC):178-180

5. Boiling point (ºC,Normal pressure):607

6. Boiling point (ºC,5.2kPa): Undetermined

7.   Refractive index: Undetermined

8. Flash Point (ºF): 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):94.8

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: soluble in water

Toxicological data

None yet

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:74.23

2、 Molar volume（m³/mol)：188.9

3、 Isotonic specific volume (90.2K):560.6

4、 Surface tension（dyne/cm）： 77.4

5、 Polarizability(10^-24cm³）：29.42

Compute chemical data

1. Hydrophobic parameters Calculate the reference value (XlogP):-0.1

2. Hydrogen Bonding Number of donors: 5

3. Hydrogen Bonding Number of receptors: 6

4. Rotatable Number of chemical bonds: 3

5. Interchange Number of isomers:

6. Topological molecules Polar surface area (TPSA):115

7. Heavy Atom Quantity: 21

8. Surface Charge ：0

9. Complexity ：356

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters:5

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 sealed and placed in a ventilated, dry environment

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com