Basic information
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Specification
The Guanosine, 8-bromo-, with the CAS registry number 4016-63-1 and EINECS registry number 223-677-6, has the systematic name of 8-bromo-9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-imino-3H-purin-6-one. It belongs to the following product categories: Pyridines, Pyrimidines, Purines and Pteredines; Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides. And the molecular formula of the chemical is C10H12BrN5O5. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of Guanosine, 8-bromo- are as followings: (1)# of Rule of 5 Violations: 2; (2)#H bond acceptors: 10; (3)#H bond donors: 6; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 152.72 ×2Å2; (6)Index of Refraction: 1.986; (7)Molar Refractivity: 68.36 cm3; (8)Molar Volume: 138 cm3; (9)Polarizability: 27.1×10-24cm3; (10)Surface Tension: 125.6 dyne/cm; (11)Density: 2.62 g/cm3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N=C3Nc2c(nc(Br)n2[C@@H]1O[C@H](CO)[C@H](O)C1O)C(=O)N3
(2)InChI: InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4+,5?,8-/m1/s1
(3)InChIKey: ASUCSHXLTWZYBA-KLIPBWTKBI