3H-Purin-6-amine,8-bromo-3-b-D-ribofuranosyl- supplier

Name
8-bromo-3-pentofuranosyl-3H-purin-6-amine
EINECS
CAS No. 36258-95-4
Density 2.45 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂BrN₅O₄
Boiling Point 556 °C at 760 mmHg
Molecular Weight 346.14
Flash Point 290.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC133117;
PSA
LogP

3H-Purin-6-amine,8-bromo-3-b-D-ribofuranosyl- Specification

The 3H-Purin-6-amine, 8-bromo-3-b-D-ribofuranosyl-, with the CAS registry number 36258-95-4, is also known as 8-Bromo-3-pentofuranosyl-3H-purin-6-amine. This chemical's molecular formula is C₁₀H₁₂BrN₅O₄ and molecular weight is 346.1374. What's more, its IUPAC name is 2-(6-Amino-8-bromopurin-3-yl)-5-(hydroxymethyl)oxolane-3, 4-diol.

Physical properties about 3H-Purin-6-amine, 8-bromo-3-b-D-ribofuranosyl- are: (1)ACD/LogP: -1.71; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 9; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 80.48 Å²; (7)Index of Refraction: 1.94; (8)Molar Refractivity: 67.51 cm³; (9)Molar Volume: 140.7 cm³; (10)Polarizability: 26.76×10^-24 cm³; (11)Surface Tension: 110.5 dyne/cm; (12)Density: 2.45 g/cm³; (13)Flash Point: 290.1 °C; (14)Enthalpy of Vaporization: 96.25 kJ/mol; (15)Boiling Point: 556 °C at 760 mmHg; (16)Vapour Pressure: 1.11E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrC=1/N=C2/N(/C=N\C(N)=C2\N=1)C3OC(C(O)C3O)CO
(2) InChI: InChI=1/C10H12BrN5O4/c11-10-14-4-7(12)13-2-16(8(4)15-10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1,12H2
(3) InChIKey: LTPDBNBCLYIPDB-UHFFFAOYAU

Product Name

8-bromo-3-pentofuranosyl-3H-purin-6-amine

3H-Purin-6-amine,8-bromo-3-b-D-ribofuranosyl- Specification

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