3-indoloxy-β-glucoside structural formula

3-indoloxy-β-glucoside structural formula

Structural formula

Business number 053C
Molecular formula C14H17NO6
Molecular weight 295.29



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


None yet


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