9H-Purin-2-amine,6-chloro-9-β-D-xylofuranosyl- supplier

Name
9H-Purin-2-amine,6-chloro-9-β-D-xylofuranosyl-
EINECS
CAS No. 34793-10-7
Density 2.19 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂ClN₅O₄
Boiling Point 729.9 °C at 760 mmHg
Molecular Weight 301.689
Flash Point 395.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC125627;
PSA
LogP

9H-Purin-2-amine,6-chloro-9-β-D-xylofuranosyl- Specification

The 9H-Purin-2-amine, 6-chloro-9-β-D-xylofuranosyl-, with the CAS registry number of 34793-10-7, is also known as NSC125627. This chemical's molecular formula is C₁₀H₁₂ClN₅O₄ and molecular weight is 301.6864. What's more, its IUPAC name is 2-(2-Amino-6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3, 4-diol.

Physical properties about 9H-Purin-2-amine, 6-chloro-9-β-D-xylofuranosyl- are: (1)ACD/LogP: -0.59; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 11.38; (6)ACD/KOC (pH 7.4): 11.39; (7)#H bond acceptors: 9; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 83.76 Å²; (11)Index of Refraction: 1.912; (12)Molar Refractivity: 64.55 cm³; (13)Molar Volume: 137.4 cm³; (14)Polarizability: 25.59×10^-24 cm³; (15)Surface Tension: 106.5 dyne/cm; (16)Density: 2.19 g/cm³; (17)Flash Point: 395.2 °C; (18)Enthalpy of Vaporization: 111.84 kJ/mol; (19)Boiling Point: 729.9 °C at 760 mmHg; (20)Vapour Pressure: 2.3E-22 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc3nc(nc1c3ncn1C2OC(C(O)C2O)CO)N
(2) InChI: InChI=1/C10H12ClN5O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)
(3) InChIKey: TXWHPSZYRUHEGT-UHFFFAOYAB

Product Name

9H-Purin-2-amine,6-chloro-9-β-D-xylofuranosyl-

9H-Purin-2-amine,6-chloro-9-β-D-xylofuranosyl- Specification

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