- InChI
- InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
- InChI Key
- WUUGFSXJNOTRMR-IOSLPCCCSA-N
- Formula
- C11H15N5O3S
- SMILES
-
CSCC1OC(n2cnc3c(N)ncnc32)C(O)C
1O - Molecular Weight1
- 297.33
- CAS
- 2457-80-9
- Other Names
-
- «beta»-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-5-S-methyl-5-thio-
- Methylthioadenosine
- 5'-(Methylthio)-5'-deoxyadenosine
- 5'-Deoxy-5'-(methylthio)adenosine
- 5'-S-Methyl-5'-thioadenosine
- 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 | 0.8656 | Relay (... Calculated Property | |
| ΔfG° | 129.16 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -209.75 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 145.37 | kJ/mol | Relay (... Calculated Property |
| IE | 8.43 | eV | Relay (... Calculated Property |
| log10WS | -2.08 | Relay (... Calculated Property | |
| logPoct/wat | -0.609 | Crippen Calculated Property | |
| McVol | 199.930 | ml/mol | McGowan Calculated Property |
| Pc | 2799.54 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 717.88 | K | Relay (... Calculated Property |
| Tc | 1098.69 | K | Relay (... Calculated Property |
| Tfus | 472.71 | K | Relay (... Calculated Property |
| Vc | 0.738 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Adenosine, 5'-S-methyl-5'-thio-.
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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