- InChI
- InChI=1S/C22H41N5O3Si2/c1-21(2,3)31(7,8)28-12-16-15(30-32(9,10)22(4,5)6)11-17(29-16)27-14-26-18-19(23)24-13-25-20(18)27/h13-17H,11-12H2,1-10H3,(H2,23,24,25)/t15-,16+,17?/m0/s1
- InChI Key
- JEDIATUHRBNRLS-RTKIROINSA-N
- Formula
- C22H41N5O3Si2
- SMILES
-
CC(C)(C)[Si](C)(C)OCC1OC(n2cnc
3c(N)ncnc32)CC1O[Si](C)(C)C(C) (C)C - Molecular Weight1
- 479.76
- Other Names
-
- 2'-Deoxyadenosine, 3',5'-bis(O-TBDMSi)
- 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 | 0.8820 | Relay (... Calculated Property | |
| ΔfG° | 263.49 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -602.01 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 113.14 | kJ/mol | Relay (... Calculated Property |
| IE | 8.04 | eV | Relay (... Calculated Property |
| log10WS | -4.38 | Relay (... Calculated Property | |
| logPoct/wat | 5.108 | Crippen Calculated Property | |
| Pc | 916.92 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2954.00; 2985.00] |
|
|
| Inp | 2954.00 | NIST | |
| Inp | 2985.00 | NIST | |
| Inp | 2954.00 | NIST | |
| Inp | 2985.00 | NIST | |
| Inp | 2954.00 | NIST | |
| Tboil | 710.52 | K | Relay (... Calculated Property |
| Tc | 1048.52 | K | Relay (... Calculated Property |
| Tfus | 427.83 | K | Relay (... Calculated Property |
| Vc | 1.485 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2'-Deoxyadenosine, 3',5'-bis-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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