- InChI
- InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m0/s1
- InChI Key
- OIRDTQYFTABQOQ-DEGSGYPDSA-N
- Formula
- C10H13N5O4
- SMILES
- Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O
- Molecular Weight1
- 267.24
- CAS
- 58-61-7
- Other Names
-
- .beta.-adenosine
- 6-Amino-9«beta»-D-ribofuranosyl-9H-purine
- 6-amino-9.beta.-D-ribofuranosyl-9H-purine
- 9-.beta.-D-ribofuranosidoadenine
- 9-«beta»-D-Ribofuranosidoadenine
- 9-«beta»-D-Ribofuranosyl-9H-purin-6-amine
- 9-«beta»-d-Ribofuranosyladenine
- 9H-Purin-6-amine, 9-«beta»-d-ribofuranosyl-
- Adenine nucleoside
- Adenine riboside
- Adenocard
- Adenocor
- Adenoscan
- Adenosin
- Boniton
- Myocol
- NSC 7652
- Nucleocardyl
- Sandesin
- USAF CB-10
- adenenine riboside
- «beta»-Adenosine
- «beta»-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-
- «beta»-d-Adenosine
- «beta»-d-Ribofuranoside, adenine-9
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 989.30 | kJ/mol | NIST |
| BasG | 956.80 | kJ/mol | NIST |
| log10WS | -1.70 | Aq. Solubility Prediction | |
| logPoct/wat | -1.980 | Crippen Calculated Property | |
| McVol | 175.360 | ml/mol | McGowan Calculated Property |
| Tfus | 507.90 | K | Aq. Solubility Prediction |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Similar Compounds
Find more compounds similar to Adenosine.
Mixtures
- Adenosine + Water
- Adenosine + Formamide, N,N-dimethyl- + Water
- Adenosine + 2-Pyrrolidinone, 1-methyl- + Water
- Adenosine + Dimethyl Sulfoxide + Water
- Adenosine + Propylene Glycol + Water
- Adenosine + Formamide, N,N-dimethyl-
- Adenosine + 2-Pyrrolidinone, 1-methyl-
- Adenosine + Dimethyl Sulfoxide
- Adenosine + Propylene Glycol
Sources
- 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
- The partial molar volumes at T = (288.15 to 313.15) K, and the partial molar heat capacities and expansions at T = 298.15 K of cytidine, uridine, and adenosine in aqueous solution
- Volumetric properties of the nucleosides adenosine, cytidine, and uridine in aqueous solution at T=298.15K and P=(10 to120)MPa
- Equilibrium solubility, dissolution thermodynamics and preferential solvation of adenosine in aqueous solutions of N,N-dimethylformamide, N-methyl-2-pyrrolidone, dimethylsulfoxide and propylene glycol
- Partial Molar Isentropic and Isothermal Compressions of the Nucleosides Adenosine, Cytidine, and Uridine in Aqueous Solution at 298.15 K
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.