8-BROMOADENOSINE

The Adenosine, 8-bromo-, with the CAS registry number 2946-39-6, is also known as 6-Amino-8-bromopurine riboside. It belongs to the product categories of Pyridines, Pyrimidines, Purines and Pteredines; Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides. Its EINECS registry number is 220-959-0. This chemical's molecular formula is C₁₀H₁₂BrN₅O₄ and molecular weight is 346.13738. Its IUPAC name is called (2R,3R,4S,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol. What's more, this chemical is off-white solid. The product should be sealed and stored in dry place below the temperature of 0 °C.

Physical properties of Adenosine, 8-bromo-: (1)ACD/LogP: -0.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.3; (4)ACD/LogD (pH 7.4): -0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.38; (8)ACD/KOC (pH 7.4): 16.39; (9)#H bond acceptors: 9; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.94; (13)Molar Refractivity: 67.51 cm³; (14)Molar Volume: 140.7 cm³; (15)Surface Tension: 110.5 dyne/cm; (16)Density: 2.45 g/cm³; (17)Flash Point: 387.8 °C; (18)Enthalpy of Vaporization: 110.1 kJ/mol; (19)Boiling Point: 717.7 °C at 760 mmHg; (20)Vapour Pressure: 1.29E-21 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)CO)O)O)Br
(2)Isomeric SMILES: C1=NC2=C(C(=N1)N)N=C(N2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Br
(3)InChI: InChI=1S/C10H12BrN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,9-/m1/s1
(4)InChIKey: VJUPMOPLUQHMLE-UUOKFMHZSA-N