CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Needles (from water +3/2) |
| Odor | Odorless |
| Taste | Mild, saline, or bitter taste |
| Melting Point | 235.5 °C |
| Solubility | >40.1 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | -1.05 |
| Optical Rotation | Specific optical rotation: -61.7 deg at 11 °C/D (c = 0.706 in water); -58.2 deg at 9 °C/D (c = 0.658 in water) |
| Decomposition | When heated to decomposition, it emits toxic funes of /nitrogen oxides/. |
| pH | pH = 4.5-7.5 (solution of 3 mg/mL adenosine and 9 mg/mL sodium chloride in water) |
| Dissociation Constants | pKa1 = 3.6; pKa2 = 12.4 |
| Collision Cross Section | 155.7 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Other Experimental Properties | Standard transformed Gibbs energies of formation: 324.93 kJ/mol (ionic strength: 0); 332.89 kJ/mol (ionic strength: 0.1M); 335.46 kJ/mol (ionic strength: 0.25M) |
COMPUTED DESCRIPTORS
| Molecular Weight | 267.24 g/mol |
|---|---|
| XLogP3 | -1.1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 267.09675391 g/mol |
| Monoisotopic Mass | 267.09675391 g/mol |
| Topological Polar Surface Area | 140 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 335 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Adenosine is a ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond. It has a role as an anti-arrhythmia drug, a vasodilator agent, an analgesic, a human metabolite and a fundamental metabolite. It is a purines D-ribonucleoside and a member of adenosines. It is functionally related to an adenine.