ChemSpider 2D Image | ascomycone C | C16H16O7

ascomycone C

  • Molecular FormulaC16H16O7
  • Average mass320.294 Da
  • Monoisotopic mass320.089600 Da
  • ChemSpider ID24635822
  • Double-bond stereo - Double-bond stereo


More details:



Featured data source



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

(3E)-2,5-Dihydroxy-7-methoxy-3-(methoxymethylen)-2-(2-oxopropyl)-2,3-dihydro-1,4-naphthalindion [German] [ACD/IUPAC Name]
(3E)-2,5-Dihydroxy-7-méthoxy-3-(méthoxyméthylène)-2-(2-oxopropyl)-2,3-dihydro-1,4-naphtalènedione [French] [ACD/IUPAC Name]
(3E)-2,5-Dihydroxy-7-methoxy-3-(methoxymethylene)-2-(2-oxopropyl)-2,3-dihydro-1,4-naphthalenedione [ACD/IUPAC Name]
1,4-Naphthalenedione, 2,3-dihydro-2,5-dihydroxy-7-methoxy-3-(methoxymethylene)-2-(2-oxopropyl)-, (3E)- [ACD/Index Name]
ascomycone C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 585.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 218.6±23.6 °C
Index of Refraction: 1.640
Molar Refractivity: 80.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.12
ACD/KOC (pH 5.5): 162.85
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.71
Polar Surface Area: 110 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 69.1±3.0 dyne/cm
Molar Volume: 221.9±3.0 cm3

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