CAS No.4016-63-1,Guanosine, 8-bromo- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4016-63-1
Name:	Guanosine, 8-bromo-
Article Data:	26

Formula:	C₁₀H₁₂BrN₅O₅
Molecular Weight:	362.14
Synonyms:	8-Bromoguanosine;NSC 174257;NSC 79211;
EINECS:	223-677-6
Density:	2.62 g/cm³
Melting Point:	222°C
Boiling Point:	774oC at 760mmHg
Flash Point:	421.9oC
Appearance:	white solid
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	22-24/25
PSA:	159.77000
LogP:	-0.93070

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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