ChemSpider 2D Image | 1-(beta-D-Lyxofuranosyl)-5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine | C13H16N6O4

1-(β-D-Lyxofuranosyl)-5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine

  • Molecular FormulaC13H16N6O4
  • Average mass320.304 Da
  • Monoisotopic mass320.123291 Da
  • ChemSpider ID62661393

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-(β-D-Lyxofuranosyl)-5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amin [German] [ACD/IUPAC Name]
1-(β-D-Lyxofuranosyl)-5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine [ACD/IUPAC Name]
1-(β-D-Lyxofuranosyl)-5-méthyl-1,5-dihydro-1,4,5,6,8-pentaazaacénaphtylén-3-amine [French] [ACD/IUPAC Name]
1-(β-D-Lyxofuranosyl)-5-methyl-4,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3(1H)-imin [German] [ACD/IUPAC Name]
1-(β-D-Lyxofuranosyl)-5-methyl-4,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3(1H)-imine [ACD/IUPAC Name]
1-(β-D-Lyxofuranosyl)-5-méthyl-4,5-dihydro-1,4,5,6,8-pentaazaacénaphtylén-3(1H)-imine [French] [ACD/IUPAC Name]
1,4,5,6,8-Pentaazaacenaphthylen-3(1H)-imine, 4,5-dihydro-1-β-D-lyxofuranosyl-5-methyl- [ACD/Index Name]
1,4,5,6,8-Pentaazaacenaphthylen-3-amine, 1,5-dihydro-1-β-D-lyxofuranosyl-5-methyl- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 659.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 352.4±34.3 °C
Index of Refraction: 1.928
Molar Refractivity: 75.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -2.56
ACD/LogD (pH 5.5): -3.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.31
Polar Surface Area: 140 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 101.1±7.0 dyne/cm
Molar Volume: 157.8±7.0 cm3

Click to predict properties on the Chemicalize site


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