Nicofuranose CAS15351-13-0

Details:

Density 1.5g /cm3
Boiling point 756ºC at 760 mmHg
Melting point 133-136ºC
Molecular formula C30H24N4O10
Molecular weight 600.53200
Flash point 411ºC
Accurate mass 600.14900
PSA 186.22000
LogP 1.81900
Vapor pressure 7.66E-26mmHg at 25°C
Refractive index of 1.622
Storage condition
Room temperature closed light, ventilated and dry

stability
Stable at normal temperature and pressure

Materials to avoid: oxides
Molecular structure
V. Molecular Property Data:

1. Molar refractive index: 146.99

2, molar volume (m3/mol) : 400.0

3. Isotropic volume (90.2K) : 1208.1

4. Surface tension (dyne/cm) : 83.1

5. Polarization (10-24cm3) : 58.27

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :1.3

2. Number of hydrogen bond donors :1

3. Number of hydrogen bond receptors :14

4. Number of rotatable bonds :14

5. Number of tautomers: None

6. Topological molecular polar surface area 186

7. Number of heavy atoms :44

8. Surface charge :0

9. Complexity :1020

10. Number of isotope atoms :0

11. Determine the number of constitutive centers of primitives :4

12. Number of indeterminate atomic orthotropic centers :0

13. Determine the number of chemical bond constitutive centers :0

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1

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