Trifluorothymine Deoxyriboside Trifluorothymine Deoxyriboside

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:70-00-8

MDL number:MFCD00006534

EINECS number:200-722-8

RTECS number:XP2087500

BRN number:None

PubChem number:24900027

Physical property data

1. Properties: crystalline. 2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g/mL, air=1): Uncertain

4. Melting point (ºC): 186-1895 .       Boiling point (ºC, normal pressure): Uncertain

6.      Boiling point (ºC, 5.2kPa): Uncertain

7.      Refractive index: 50 ° (C=1, H2O)

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC) : Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13 . Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion Lower limit (%, V/V): Uncertain

19. Solubility: Uncertain

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 55.92

2. Molar volume (cm³/mol): 179.8

3. Isotonic specific volume (90.2K ): 492.2

4. Surface tension (dyne/cm): 56.1

5. Polarizability (10-24cm3): 22.17

Compute chemical data

1. Hydrophobic parameter calculation��Reference value (XlogP): -0.5

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 8

4 , Number of rotatable chemical bonds: 2

5, Number of tautomers: 3

6, Topological molecular polar surface area (TPSA): 99.1

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 464

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 3

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. The number of uncertain chemical bond stereocenters: 0

15. The number of covalent bonding units: 1

Properties and stability

None

Storage method

This product should be sealed and stored dry and below 0℃.

Synthesis method

None

Purpose

Biochemical research. medicine. ​