trifluorothymidine
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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