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8-Bromoguanosine

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Name

8-Bromoguanosine

EINECS 223-677-6
CAS No. 4016-63-1 Density 2.62 g/cm3
PSA 159.77000 LogP -0.93070
Solubility N/A Melting Point 222°C
Formula C10H12BrN5O5 Boiling Point 774oC at 760mmHg
Molecular Weight 362.14 Flash Point 421.9oC
Transport Information N/A Appearance white solid
Safety 22-24/25 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 4016-63-1 (Guanosine, 8-bromo-) Hazard Symbols Xn
Synonyms

8-Bromoguanosine;NSC 174257;NSC 79211;

Article Data 26

8-Bromoguanosine 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

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