-
Name
Guanosine, 8-bromo-
- EINECS 223-677-6
- CAS No. 4016-63-1
- Article Data26
- CAS DataBase
- Density 2.62 g/cm3
- Solubility
- Melting Point 222°C
- Formula C10H12BrN5O5
- Boiling Point 774oC at 760mmHg
- Molecular Weight 362.14
- Flash Point 421.9oC
- Transport Information
- Appearance white solid
- Safety 22-24/25
- Risk Codes 20/21/22-36/37/38
-
Molecular Structure
- Hazard Symbols Xn
- Synonyms 8-Bromoguanosine;NSC 174257;NSC 79211;
- PSA 159.77000
- LogP -0.93070
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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