8-Bromo-2'-deoxyadenosine

The 8-Bromo-2'-deoxyadenosine, with the CAS registry number 14985-44-5, is also known as 2'-Deoxy-8-bromoadenosine. This chemical's molecular formula is C₁₀H₁₂BrN₅O₃ and molecular weight is 330.13798. Its IUPAC name is called (2R,3S,5R)-5-(6-amino-8-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol.

Physical properties of 8-Bromo-2'-deoxyadenosine: (1)ACD/LogP: -0.24; (2)ACD/LogD (pH 5.5): -0.24; (3)ACD/LogD (pH 7.4): -0.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 17.64; (7)ACD/KOC (pH 7.4): 17.66; (8)#H bond acceptors: 8; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.898; (12)Molar Refractivity: 66.66 cm³; (13)Molar Volume: 143.4 cm³; (14)Surface Tension: 97.4 dyne/cm; (15)Density: 2.3 g/cm³; (16)Flash Point: 359.6 °C; (17)Enthalpy of Vaporization: 103.57 kJ/mol; (18)Boiling Point: 671 °C at 760 mmHg; (19)Vapour Pressure: 6.41E-19 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. It is toxic in contact with skin. In addition, it may cause heritable genetic damage. Whenever you will contact it, please wear suitable protective clothing. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(C(OC1N2C3=C(C(=NC=N3)N)N=C2Br)CO)O
(2)Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=NC=N3)N)N=C2Br)CO)O
(3)InChI: InChI=1S/C10H12BrN5O3/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,13,14)/t4-,5+,6+/m0/s1
(4)InChIKey: NJBIVXMQFIQOGE-KVQBGUIXSA-N