ChemSpider 2D Image | 9-(beta-D-Lyxofuranosyl)-N~2~-phenyl-9H-purine-2,6-diamine | C16H18N6O4

9-(β-D-Lyxofuranosyl)-N2-phenyl-9H-purine-2,6-diamine

  • Molecular FormulaC16H18N6O4
  • Average mass358.352 Da
  • Monoisotopic mass358.138947 Da
  • ChemSpider ID62490729

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E)-9-(β-D-Lyxofuranosyl)-2-(phenylimino)-2,9-dihydro-1H-purin-6-amin [German] [ACD/IUPAC Name]
(2E)-9-(β-D-Lyxofuranosyl)-2-(phenylimino)-2,9-dihydro-1H-purin-6-amine [ACD/IUPAC Name]
(2E)-9-(β-D-Lyxofuranosyl)-2-(phénylimino)-2,9-dihydro-1H-purin-6-amine [French] [ACD/IUPAC Name]
1H-Purin-6-amine, 2,9-dihydro-9-β-D-lyxofuranosyl-2-(phenylimino)-, (2E)- [ACD/Index Name]
9-(β-D-Lyxofuranosyl)-N2-phenyl-9H-purin-2,6-diamin [German] [ACD/IUPAC Name]
9-(β-D-Lyxofuranosyl)-N2-phenyl-9H-purine-2,6-diamine [ACD/IUPAC Name]
9-(β-D-Lyxofuranosyl)-N2-phényl-9H-purine-2,6-diamine [French] [ACD/IUPAC Name]
9H-Purine-2,6-diamine, 9-β-D-lyxofuranosyl-N2-phenyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 601.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 317.6±34.3 °C
Index of Refraction: 1.829
Molar Refractivity: 88.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -3.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 84.8±7.0 dyne/cm
Molar Volume: 200.8±7.0 cm3

Click to predict properties on the Chemicalize site


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