- InChI
- InChI=1S/C26H45N5O3Si2/c1-25(2,3)35(11-7-8-12-35)32-16-20-19(34-36(26(4,5)6)13-9-10-14-36)15-21(33-20)31-18-30-22-23(27)28-17-29-24(22)31/h17-21H,7-16H2,1-6H3,(H2,27,28,29)/t19-,20+,21?/m0/s1
- InChI Key
- SSDYEXYOUNXMRF-MCOCGALXSA-N
- Formula
- C26H45N5O3Si2
- SMILES
-
CC(C)(C)[Si]1(OCC2OC(n3cnc4c(N
)ncnc43)CC2O[Si]2(C(C)(C)C)CCC C2)CCCC1 - Molecular Weight1
- 531.84
- Other Names
-
- 2'-Deoxyadenosine, 3',5'-bis-O-cyclotetramethylene-tertbutylsilyl
- 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.
- 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 | 0.9402 | Relay (1.0) Calculated Property | |
| ΔfG° | 311.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -576.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 133.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.177 | Crippen Calculated Property | |
| Pc | 449.21 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3594.00; 3594.00] |
|
|
| Inp | 3594.00 | NIST | |
| Inp | 3594.00 | NIST | |
| Tboil | 775.44 | K | Relay (1.0) Calculated Property |
| Tc | 1136.66 | K | Relay (1.0) Calculated Property |
| Tfus | 496.11 | K | Relay (1.0) Calculated Property |
| Vc | 1.621 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2'-Deoxyadenosine, 3',5'-bis(O-TMTBSi).
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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