- InChI
- InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)
- InChI Key
- BIXYYZIIJIXVFW-UHFFFAOYSA-N
- Formula
- C10H12ClN5O4
- SMILES
-
Nc1nc(Cl)nc2c1ncn2C1OC(CO)C(O)
C1O - Molecular Weight1
- 301.69
- CAS
- 146-77-0
- Other Names
-
- Cl AS
- 2 ClAdo
- 2-Chloroadenosine
- Cl-Ado
- 2-chloroadenosinehemihydrate
- 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.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 | 0.9786 | Relay (... Calculated Property | |
| ΔfG° | 1.63 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -408.83 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 159.75 | kJ/mol | Relay (... Calculated Property |
| IE | 8.68 | eV | Relay (... Calculated Property |
| log10WS | -2.61 | Relay (... Calculated Property | |
| logPoct/wat | -1.327 | Crippen Calculated Property | |
| McVol | 187.600 | ml/mol | McGowan Calculated Property |
| Pc | 2814.43 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 717.64 | K | Relay (... Calculated Property |
| Tc | 1129.06 | K | Relay (... Calculated Property |
| Tfus | 488.19 | K | Relay (... Calculated Property |
| Vc | 0.715 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Adenosine, 2-chloro-.
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
- McGowan Method
- NIST Webbook
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