1,2-O-Isopropylidene-D-glucofuranose CAS18549-40-1

Details:

Density 1.4± 0.1g /cm3
Boiling point 422.4±40.0 °C at 760 mmHg
Melting point 159-160 °C(lit.)
Molecular formula C9H16O6
Molecular weight 220.220
Flash point 209.3±27.3 °C
Accurate mass 220.094681
PSA 88.38000
LogP minus 0.17
Appearance properties white powder
Vapor pressure 0.0±2.3 mmHg at 25°C
Refractive index 1.518
Storage condition
Sealed, cool and dry place below 0 °C

stability
Stable at normal temperature and pressure

Materials to avoid: oxides
Molecular structure
1. Molar refractive index: 49.14

2. Molar volume (m3/mol) : 162.0

3. Isotropic specific volume (90.2K) : 429.5

4. Surface tension (dyne/cm) : 49.3

5. Polarization (10-24cm3) : 19.48

Computational chemistry
1. Reference value of hydrophobic parameter calculation (XlogP) : -1.1

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond receptors: 6

4. Number of rotatable bonds: 2

5. Topological molecular polar surface area (TPSA) : 88.4

6. Number of heavy atoms: 15

7. Surface charge: 0

8. Complexity: 243

9. Number of isotope atoms: 0

10. Determine the number of atomic constitutive centers: 0

11. Number of uncertain atomic constitutive centers: 5

12. Determine the number of chemical bond structure centers: 0

13. Number of uncertain bond structure centers: 0

14. Number of covalent bond units: 1

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