3-indoloxy-β-glucoside

3-indoloxy-β-glucoside structural formula

3-indoloxy-β-glucoside structural formula

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

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 volumem3/mol)188.9


3 Isotonic specific volume (90.2K):560.6


4 Surface tensiondyne/cm 77.4


5 Polarizability(10-24cm329.42

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

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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