- InChI
- InChI=1S/C22H46N2O6Si4/c1-16-14-24(22(25)23-20(16)30-34(11,12)13)21-19(29-33(8,9)10)18(28-32(5,6)7)17(27-21)15-26-31(2,3)4/h14,17-19,21H,15H2,1-13H3/t17-,18-,19-,21?/m1/s1
- InChI Key
- MPCOCYVHJKERIX-OCQFDOBUSA-N
- Formula
- C22H46N2O6Si4
- SMILES
-
Cc1cn(C2OC(CO[Si](C)(C)C)C(O[S
i](C)(C)C)C2O[Si](C)(C)C)c(=O) nc1O[Si](C)(C)C - Molecular Weight1
- 546.95
- 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.
- 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 | 0.8565 | Relay (1.0) Calculated Property | |
| ΔfG° | -302.69 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1478.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 105.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.955 | Crippen Calculated Property | |
| Inp | [2485.00; 2485.00] |
|
|
| Inp | 2485.00 | NIST | |
| Inp | 2485.00 | NIST | |
| Tboil | 680.11 | K | Relay (1.0) Calculated Property |
| Tc | 892.74 | K | Relay (1.0) Calculated Property |
| Tfus | 332.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.723 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thymine riboside, TMS.
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
- NIST Webbook
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