Structural formula
| Business number | 053P |
|---|---|
| Molecular formula | C6H15NO5 |
| Molecular weight | 181.19 |
| label |
D-glucosamine, D-glucosamine |
Numbering system
CAS number:488-43-7
MDL number:None
EINECS number:207-677-3
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Character: Undetermined
2. Density (g/ m3,25/4℃): Undetermined
3. Relative vapor density (g/cm3,AIR=1): Undetermined
4. Melting point (ºC):126-128
5. Boiling point (ºC,Normal pressure): Undetermined
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. Saturation 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 water) partition coefficient: Undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None
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:40.89
2、 Molar Volume（m3/mol)：120.2
3、 Isotonic specific volume (90.2K):373.0
4、 Surface tension（dyne/cm)：92.5
5、 Polarizability(10-24cm3）：16.21
Compute chemical data
1. Hydrophobic parameters Calculate the reference value (XlogP):-3.4
2. Hydrogen Bonding Number of donors: 6
3. Hydrogen Bonding Number of receptors: 6
4. Number of rotatable chemical bonds:5
5. Interchange Number of isomers:
6. Topological molecules Polar surface area (TPSA):127
7. Heavy Atom Quantity: 12
8. Surface Charge ：0
9. Complexity ：123
10. Number of isotope atoms:0
11. Determine the number of atomic stereocenters:0
12. Uncertain number of atomic stereocenters:4
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
Seal and store at 0-5°C in a ventilated, dry environment
Synthesis method
None
Purpose
None
