8-AZAADENOSINE

The 3H-1, 2, 3-Triazolo[4, 5-d]pyrimidin-7-amine, 3-β-D-ribofuranosyl-, with the CAS registry number 10299-44-2, is also known as 3-(β-D-Ribofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine. This chemical's molecular formula is C₉H₁₂N₆O₄ and molecular weight is 268.23. What's more, its IUPAC name is (2R, 3R, 4S, 5R)-2-(7-Aminotriazolo[4, 5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3, 4-diol. This chemical's classification code is Mutation Data.

Physical properties about 3H-1, 2, 3-Triazolo[4, 5-d]pyrimidin-7-amine, 3-β-D-ribofuranosyl- are: (1)ACD/LogP: -1.80; (2) # of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1.8; (4)ACD/LogD (pH 7.4): -1.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.49; (8)ACD/KOC (pH 7.4): 2.49; (9)#H bond acceptors: 10; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 96.65 Å²; (13)Index of Refraction: 2; (14)Molar Refractivity: 58.4 cm³; (15)Molar Volume: 116.7 cm³; (16)Polarizability: 23.15×10^-24 cm³; (17)Surface Tension: 129.4 dyne/cm; (18)Density: 2.29 g/cm³; (19)Flash Point: 378.7 °C; (20)Enthalpy of Vaporization: 107.98 kJ/mol; (21)Boiling Point: 702.6 °C at 760 mmHg; (22)Vapour Pressure: 1.01E-20 mmHg at 25 °C.

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 damage to health. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is harmful by inhalation, in contact with skin and if swallowed.

You can still convert the following datas into molecular structure:
(1) SMILES: n1nn(c2ncnc(c12)N)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)CO
(2) InChI: InChI=1/C9H12N6O4/c10-7-4-8(12-2-11-7)15(14-13-4)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H2,10,11,12)/t3-,5-,6-,9-/m1/s1
(3) InChIKey: OAUKGFJQZRGECT-UUOKFMHZSA-N