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. ​