- InChI
- InChI=1S/C16H27N5O3Si/c1-16(2,3)25(4,5)24-10-6-12(23-11(10)7-22)21-9-20-13-14(17)18-8-19-15(13)21/h8-12,22H,6-7H2,1-5H3,(H2,17,18,19)/t10?,11-,12-/m1/s1
- InChI Key
- RZJNKNBLADNWHG-PQDIPPBSSA-N
- Formula
- C16H27N5O3Si
- SMILES
-
CC(C)(C)[Si](C)(C)OC1CC(n2cnc3
c(N)ncnc32)OC1CO - Molecular Weight1
- 365.50
- 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 | 0.9055 | Relay (... Calculated Property | |
| ΔfG° | 188.07 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -435.50 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 126.01 | kJ/mol | Relay (... Calculated Property |
| IE | 8.38 | eV | Relay (... Calculated Property |
| log10WS | -2.95 | Relay (... Calculated Property | |
| logPoct/wat | 2.079 | Crippen Calculated Property | |
| Pc | 1437.50 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2731.00 | NIST | |
| Tboil | 702.59 | K | Relay (... Calculated Property |
| Tc | 1046.58 | K | Relay (... Calculated Property |
| Tfus | 460.34 | K | Relay (... Calculated Property |
| Vc | 1.044 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2'-Deoxyadenosine, 3'-O-TBDMS.
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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