β-D-glucose pentaacetate
Structural formula
| Business number | 068E |
|---|---|
| Molecular formula | C16H22O11 |
| Molecular weight | 390.34 |
| label |
1,2,3,4,6-β-D-glucose pentaacetate, 1,2,3,4,6-Penta-O-acetyl-β-D-glucopyranose |
Numbering system
CAS number:604-69-3
MDL number:MFCD00006597
EINECS number:210-074-8
RTECS number:None
BRN number:98851
PubChem ID:None
Physical property data
Physical property data;
1. Melting point (℃):129-133
2. Specific rotation (º, C=1, DIOXANE):5
Toxicological data
None
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.
Molecular structure data
5. Molecular property data: 1, Molar refractive index:85.00 2, Molar volume (m3/mol):298.0 3, Isotonic specific volume (90.2K ):779.0 4, Surface Tension (dyne/cm): 46.7 5、 Polarizability (10-24cm3): 33.69
Compute chemical data
4. Computational Chemistry Data:
1. Hydrophobic parameter calculation reference value (XlogP ): 0.6
2. Number of hydrogen bond donors:0
3. Number of hydrogen bond acceptors:11
4. Number of rotatable chemical bonds:11
5. Topological molecule polar surface area (TPSA ): 141
6. Number of heavy atoms:27
7. Surface charge: 0
8. Complexity:599
9. Isotope atoms Quantity: 0
10. Determine the number of atomic stereocenters:0
11. Not sure Number of atomic stereocenters:5
12. Determine chemical bonds Number of stereocenters:0
13. Not sure Number of stereocenters of chemical bonds: 0
14. Covalent Number of key units: 1
Properties and stability
Properties and stability:
No decomposition products may occur under normal temperatures and pressures.
Storage method
Storage:
Seal the secret container and store it in a sealed main container in a cool place Dry position.
Synthesis method
None yet
Purpose
None
