Structural formula
| Business number | 01FY |
|---|---|
| Molecular formula | C10H11F3N2O5 |
| Molecular weight | 296.2 |
| label |
Trifluorothymidine, Trifluorothymidine, 5-trifluoromethyl-2-deoxyuridine, Trifluridine, Trifluoside, Trifluridine, Trifluridine, 5-Trifluoromethyl-2′-deoxyuridine, 2′-Deoxy-5-(trifluoromethyl)uridine, 5-Trifluoro-2′-deoxythymidine |
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: Crystal. 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. Number of uncertain stereocenters of chemical bonds: 0
15. Number of covalent bond 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. ?
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