ChemSpider 2D Image | 9-(5,6-dideoxy-beta-D-lyxo-hex-5-ynofuranosyl)-9H-purin-6-amine | C11H11N5O3

9-(5,6-dideoxy-β-D-lyxo-hex-5-ynofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC11H11N5O3
  • Average mass261.237 Da
  • Monoisotopic mass261.086182 Da
  • ChemSpider ID23281085
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9-(5,6-dideoxy-β-D-lyxo-hex-5-ynofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
9-(5,6-Didesoxy-β-D-lyxo-hex-5-inofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(5,6-Didésoxy-β-D-lyxo-hex-5-ynofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-purin-6-amine, 9-(5,6-dideoxy-β-D-lyxo-hex-5-ynofuranosyl)- [ACD/Index Name]
(2R,3S,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-ethynyl-tetrahydrofuran-3,4-diol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 605.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 320.0±34.3 °C
Index of Refraction: 1.819
Molar Refractivity: 63.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.82
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.45
Polar Surface Area: 119 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 80.9±7.0 dyne/cm
Molar Volume: 146.1±7.0 cm3

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