Adenosine

  Adenosine (CAS NO.58-61-7) is reported in EPA TSCA Inventory.

The Adenosine, with the CAS registry number 58-61-7, is also known as 9H-Purin-6-amine, 9beta-D-ribofuranosyl-. It belongs to the product categories of Pharmaceutical Intermediates; Fine Chemical & Intermediates; Purine; API intermediates; Nucleosides and their analogs; Biochemistry; Nucleosides, Nucleotides & Related Reagents; Nucleic acids. Its EINECS registry number is 200-389-9. This chemical's molecular formula is C₁₀H₁₃N₅O₄ and molecular weight is 267.24. Its IUPAC name is called (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol. This chemical's classification codes are Analgesics; Anti-arrhythmia agents; Cardiac depressant [anti-arrhythmic]; Cardiovascular agents; Central Nervous System Agents; Drug / Therapeutic Agent; Human Data; Mutation data; Peripheral Nervous System Agents; Sensory System Agents; Vasodilator agents. When you are using this chemical, please be cautious about it. You must avoid contacting it with skin and eyes. 

Physical properties of Adenosine: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 8.94; (5)ACD/KOC (pH 7.4): 9.254; (6)#H bond acceptors: 9; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 5; (9)Index of Refraction: 1.907; (10)Molar Refractivity: 59.959 cm³; (11)Molar Volume: 128.164 cm³; (12)Surface Tension: 107.624 dyne/cm; (13)Density: 2.085 g/cm³; (14)Flash Point: 362.796 °C; (15)Enthalpy of Vaporization: 104.298 kJ/mol; (16)Boiling Point: 676.271 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by O^2',O^3',O^5'-triacetyl-adenosine. This reaction will need reagent methanol and NH₃.

Uses of Adenosine: it can be used to produce O^2'-methyl-adenosine. This reaction will need reagent aqueous 1,2-dimethoxy-ethane.

Adenosine is a nucleoside composed of a molecule of adenine attached to a ribose sugar molecule (ribofuranose) moiety via a β-N9-glycosidic bond. Adenosine is an endogenous purine nucleoside that modulates many physiological processes. Adenosine plays an important role in biochemical processes, such as energy transfer—as adenosine triphosphate (ATP) and adenosine diphosphate (ADP)—as well as in signal transduction as cyclic adenosine monophosphate, cAMP.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O
(2)Isomeric SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
(3)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-/m1/s1
(4)InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N

The toxicity data is as follows: