- InChI
- InChI=1S/C14H12F6N2O7/c1-5-3-22(12(26)21-9(5)23)8-2-6(29-11(25)14(18,19)20)7(28-8)4-27-10(24)13(15,16)17/h3,6-8H,2,4H2,1H3,(H,21,23,26)
- InChI Key
- XOTHCHOYOROZPJ-UHFFFAOYSA-N
- Formula
- C14H12F6N2O7
- SMILES
-
Cc1cn(C2CC(OC(=O)C(F)(F)F)C(CO
C(=O)C(F)(F)F)O2)c(=O)nc1O - Molecular Weight1
- 434.24
- CAS
- 18354-10-4
- Other Names
-
- O-3',5'-Bis(trifluoroacetyl)thymidine
- Thymidine, 3',5'-bis-O-TFA
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8571 | Relay (1.0) Calculated Property | |
| ΔfG° | -1572.43 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -2360.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 137.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.124 | Crippen Calculated Property | |
| McVol | 236.570 | ml/mol | McGowan Calculated Property |
| Pc | 1770.97 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2032.00; 2054.00] |
|
|
| Inp | 2032.00 | NIST | |
| Inp | 2053.00 | NIST | |
| Inp | 2054.00 | NIST | |
| Inp | 2032.00 | NIST | |
| Inp | 2054.00 | NIST | |
| Tboil | 604.18 | K | Relay (1.0) Calculated Property |
| Tc | 832.62 | K | Relay (1.0) Calculated Property |
| Tfus | 407.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.893 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thymidine, 3',5'-bis(trifluoroacetate).
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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