- InChI
- InChI=1S/C18H29N5O4Si/c1-11(24)25-8-13-12(27-28(5,6)18(2,3)4)7-14(26-13)23-10-22-15-16(19)20-9-21-17(15)23/h9-10,12-14H,7-8H2,1-6H3,(H2,19,20,21)/t12?,13-,14-/m1/s1
- InChI Key
- KCIURUOHOWALCS-ILMHWDKJSA-N
- Formula
- C18H29N5O4Si
- SMILES
-
CC(=O)OCC1OC(n2cnc3c(N)ncnc32)
CC1O[Si](C)(C)C(C)(C)C - Molecular Weight1
- 407.54
- 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 | 0.8475 | Relay (... Calculated Property | |
| ΔfG° | 67.89 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -619.97 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 120.52 | kJ/mol | Relay (... Calculated Property |
| IE | 8.02 | eV | Relay (... Calculated Property |
| log10WS | -3.34 | Relay (... Calculated Property | |
| logPoct/wat | 2.650 | Crippen Calculated Property | |
| Pc | 1267.36 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2798.00 | NIST | |
| Tboil | 696.28 | K | Relay (... Calculated Property |
| Tc | 1017.88 | K | Relay (... Calculated Property |
| Tfus | 426.78 | K | Relay (... Calculated Property |
| Vc | 1.158 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2'-Deoxyadenosine, 3'-O-TBDMS, 5'-O-acetyl.
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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