- InChI
- InChI=1S/C24H41N5O3Si2/c1-17(2)33(9-5-6-10-33)30-14-20-19(32-34(18(3)4)11-7-8-12-34)13-21(31-20)29-16-28-22-23(25)26-15-27-24(22)29/h15-21H,5-14H2,1-4H3,(H2,25,26,27)/t19-,20+,21?/m0/s1
- InChI Key
- TXMCBTGUKLCLLK-MCOCGALXSA-N
- Formula
- C24H41N5O3Si2
- SMILES
-
CC(C)[Si]1(OCC2OC(n3cnc4c(N)nc
nc43)CC2O[Si]2(C(C)C)CCCC2)CCC C1 - Molecular Weight1
- 503.79
- Other Names
-
- 2'-Deoxyadenosine, 3',5'-bis(O-TMIPSi)
- 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 | 0.9286 | Relay (... Calculated Property | |
| ΔfG° | 290.84 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -537.80 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 134.73 | kJ/mol | Relay (... Calculated Property |
| IE | 8.01 | eV | Relay (... Calculated Property |
| log10WS | -4.26 | Relay (... Calculated Property | |
| logPoct/wat | 5.396 | Crippen Calculated Property | |
| Pc | 602.21 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3520.00; 3520.00] |
|
|
| Inp | 3520.00 | NIST | |
| Inp | 3520.00 | NIST | |
| Tboil | 769.60 | K | Relay (... Calculated Property |
| Tc | 1120.13 | K | Relay (... Calculated Property |
| Tfus | 425.44 | K | Relay (... Calculated Property |
| Vc | 1.492 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2'-Deoxyadenosine, 3',5'-bis-O-cyclotetramethylene-isopropylsilyl.
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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