6-Amino-2-chloropurine riboside CAS146-77-0

Details:

Density 2.2± 0.1g /cm3
Boiling point 643.3±65.0 °C at 760 mmHg
Melting point 162 °C
Molecular formula C10H12ClN5O4
Molecular weight 301.686
Flash point 342.8±34.3 °C
Accurate mass 301.057770
PSA 139.54000
LogP minus 0.46
Appearance properties white powder
Vapor pressure 0.0±2.0 mmHg at 25°C
Refractive index 1.912
Storage condition
Seal in a dry and cool place.

stability
Stable at normal temperature and pressure.

Water Soluble H2O: 10 mg/mL, clear, colorless
Molecular structure
V. Molecular Property Data:

1. Molar refractive index: 64.55

2. Molar volume (m3/mol) : 137.4

3. Iso-sheet volume (90.2K) : 441.6

4. Surface tension (dyne/cm) : 106.5

5. Polarization (10-24cm3) : 25.59

Computational chemistry
Iv. Calculation of chemical Data

1. Reference value of hydrophobic parameter calculation (XlogP) : -0.1

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond receptors: 8

4. Number of rotatable bonds: 2

5. Topological molecular polar surface area (TPSA) : 140

6. Number of heavy atoms: 20

7. Surface charge: 0

8. Complexity: 367

9. Number of isotope atoms: 0

10. Determine the number of atomic constitutive centers: 0

11. Number of uncertain atomic constitutive centers: 4

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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