- InChI
- InChI=1S/C13H10F6N2O7/c14-12(15,16)9(23)26-4-6-5(28-10(24)13(17,18)19)3-8(27-6)21-2-1-7(22)20-11(21)25/h1-2,5-6,8H,3-4H2,(H,20,22,25)
- InChI Key
- HNOQBJVTAZRPRT-UHFFFAOYSA-N
- Formula
- C13H10F6N2O7
- SMILES
-
O=C(OCC1OC(n2ccc(=O)[nH]c2=O)C
C1OC(=O)C(F)(F)F)C(F)(F)F - Molecular Weight1
- 420.22
- CAS
- 35170-15-1
- Other Names
-
- 2'-Deoxyuridine, O,O'-bis(trifluoroacetate)-
- 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 | 0.7692 | Relay (1.0) Calculated Property | |
| ΔfG° | -1588.43 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -2274.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 131.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.078 | Crippen Calculated Property | |
| McVol | 222.480 | ml/mol | McGowan Calculated Property |
| Pc | 1527.37 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2022.60 | NIST | |
| Tboil | 618.01 | K | Relay (1.0) Calculated Property |
| Tc | 825.53 | K | Relay (1.0) Calculated Property |
| Tfus | 396.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.839 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Uridine, 2'-deoxy-, 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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