ChemSpider 2D Image | 3-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-8,9-dihydroxy-6-methoxy-1H,6H-pyrano[4,3-c]isochromen-1-one | C21H16O8

3-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-8,9-dihydroxy-6-methoxy-1H,6H-pyrano[4,3-c]isochromen-1-one

  • Molecular FormulaC21H16O8
  • Average mass396.347 Da
  • Monoisotopic mass396.084503 Da
  • ChemSpider ID23279005

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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

1H,6H-Pyrano[4,3-c][2]benzopyran-1-one, 3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxy-6-methoxy- [ACD/Index Name]
3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxy-6-methoxy-1H,6H-pyrano[4,3-c]isochromen-1-one
3-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-8,9-dihydroxy-6-methoxy-1H,6H-pyrano[4,3-c]isochromen-1-on [German] [ACD/IUPAC Name]
3-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-8,9-dihydroxy-6-methoxy-1H,6H-pyrano[4,3-c]isochromen-1-one [ACD/IUPAC Name]
3-[(E)-2-(3,4-Dihydroxyphényl)vinyl]-8,9-dihydroxy-6-méthoxy-1H,6H-pyrano[4,3-c]isochromén-1-one [French] [ACD/IUPAC Name]
inoscavin D

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

Density: 1.6±0.1 g/cm3
Boiling Point: 768.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 277.7±26.4 °C
Index of Refraction: 1.759
Molar Refractivity: 99.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.63
ACD/KOC (pH 5.5): 354.70
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.57
ACD/KOC (pH 7.4): 326.18
Polar Surface Area: 126 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 94.0±5.0 dyne/cm
Molar Volume: 242.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement