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Solasodine chemistry Solasod-5-en-3β-ol (8CI)
1. Product advantages
♦ High purity, all above 98.5%, no impurities after dissolution
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♦ We can also provide MT1 peptide powder
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Density 1.1± 0.1g /cm3
Boiling point 537.9±50.0 °C at 760 mmHg
Melting point 284 °C (dec.)(lit.)
Molecular formula C27H43NO2
Molecular weight 413.636
Flash point 279.1±30.1 °C
Accurate mass 413.329376
The PSA 41.49,000
LogP 5.78
Vapor pressure 0.0±3.2 mmHg at 25°C
Refractive index 1.572
Water Solubility 200 g/L (25 ºC)
Molecular structure
1. Molar refractive index: 121.27
2, molar volume (cm3/mol) : 368.3
3. Isotropic volume (90.2K) : 956.8
4. Surface tension (dyne/cm) : 45.5
5. Polarization (10-24cm3) : 48.07
Computational chemistry
1. Reference value of hydrophobic parameter calculation (XlogP) : 5.4
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond receptors: 3
4. Number of rotatable bonds: 0
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA) : 41.5
7. Number of heavy atoms: 30
8. Surface charge: 0
9. Complexity: 749
10. Number of isotope atoms: 0
11. Determine the number of atomic constitutive centers: 11
12. Number of uncertain atomic constitutive centers: 0
13. Determine the number of chemical bond structure centers: 0
14. Number of uncertain chemical bond structure centers: 0
15. Number of covalent bond units: 1
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