ChemSpider 2D Image | pyranonigrin E | C18H21NO4

pyranonigrin E

  • Molecular FormulaC18H21NO4
  • Average mass315.364 Da
  • Monoisotopic mass315.147064 Da
  • ChemSpider ID58827644

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Hydroxy-6-methyl-7-methylen-2-[(1E,3E)-1,3-nonadien-1-yl]-6,7-dihydropyrano[2,3-c]pyrrol-4,5-dion [German] [ACD/IUPAC Name]
3-Hydroxy-6-methyl-7-methylene-2-[(1E,3E)-1,3-nonadien-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione [ACD/IUPAC Name]
3-Hydroxy-6-méthyl-7-méthylène-2-[(1E,3E)-1,3-nonadién-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione [French] [ACD/IUPAC Name]
Pyrano[2,3-c]pyrrole-4,5-dione, 6,7-dihydro-3-hydroxy-6-methyl-7-methylene-2-[(1E,3E)-1,3-nonadien-1-yl]- [ACD/Index Name]
pyranonigrin E
3-hydroxy-6-methyl-7-methylidene-2-[(1E,3E)-nona-1,3-dien-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 538.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.8±6.0 kJ/mol
Flash Point: 279.5±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 87.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 43.12
ACD/KOC (pH 5.5): 514.50
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 35.43
ACD/KOC (pH 7.4): 422.78
Polar Surface Area: 67 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 259.1±5.0 cm3

Click to predict properties on the Chemicalize site


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