2-IODOADENOSINE

The Adenosine, 2-iodo-, with the CAS registry number of 35109-88-7, is also known as 2-Iodoadenosine and 2-Iodo-D-adenosine. It belongs to the product categories of Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides; Nucleosides; Oligonucleotide Synthesis; Specialty Synthesis. This chemical's molecular formula is C₁₀H₁₂IN₅O₄ and molecular weight is 393.14. What's more, its IUPAC name is (2R, 3R, 4S, 5R)-2-(6-Amino-2-iodopurin-9-yl)-5-(hydroxymethyl)oxolane-3, 4-diol.

Physical properties about Adenosine, 2-iodo- are: (1)ACD/LogP: -1.04; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 6.5; (6)ACD/KOC (pH 7.4): 6.5; (7)#H bond acceptors: 9; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 83.76 Å²; (11)Index of Refraction: 1.994; (12)Molar Refractivity: 72.61 cm³; (13)Molar Volume: 145.7 cm³; (14)Polarizability: 28.78×10^-24 cm³; (15)Surface Tension: 113.2 dyne/cm; (16)Density: 2.69 g/cm³; (17)Flash Point: 423.3 °C; (18)Enthalpy of Vaporization: 118.51 kJ/mol; (19)Boiling Point: 776.3 °C at 760 mmHg; (20)Vapour Pressure: 2.32E-25 mmHg at 25 °C; (21) Melting Point: 202-203 °C.

Uses: it can be used as the intermediate in the synthesis of Isoguanosine (Crotonoside or 2-Hydroxyadenosine). And it is a naturally occuring Nucleoside analogue of Guanosine.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1nc(c2ncn(c2n1)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)CO)N
(2) InChI: InChI=1/C10H12IN5O4/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)/t3-,5-,6-,9-/m1/s1
(3) InChIKey: MGEBVSZZNFOIRB-UUOKFMHZBZ