Business Type:Trading Company
Product Certification&
Enterprise Certification
Country: China (Mainland)
Business Type:Trading Company
CAS NO.56180-94-0
100%(1-50)Kilogram100%(50-100)Kilogram
Density: 1.7±0.1 g/cm3
Boiling point: 971.6±65.0 °C at 760 mmHg
Melting point: 165-170ºC
Molecular formula: C25H43NO18
Molecular weight: 645.605
Flash point: 541.4±34.3 °C
Exact quality: 645.247986
PSA: 321.17000
LogP :-4.16
Appearance: Off-white solid
Vapor pressure: 0.0±0.6 mmHg at 25°C
Refractive index: 1.689
Storage conditions: Keep the receptacle sealed and stored in a cool and dry place, and ensure that there is a good ventilation or exhaust device in the workplace
Computational Chemistry
1. Hydrophobic parameter calculation reference value (XlogP): -8.5
2. Number of hydrogen bond donors: 14
3. Number of hydrogen bond acceptors: 19
4. Number of rotatable chemical bonds: 9
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 321
7. Number of heavy atoms: 44
8. Surface charge: 0
9. Complexity: 962
10. Number of isotope atoms: 0
11. Determine the number of atomic stereo centers: 19
12. Uncertain number of atomic stereo centers: 0
13. Determine the number of chemical bond stereo centers: 0
14. Uncertain number of chemical bond stereo centers: 0
15. Number of covalent bond units: 1