ChemSpider 2D Image | (6S)-9,10-Dihydroxy-6,8-dimethoxy-1-oxo-3-[(1E)-1-propen-1-yl]-1H,6H-pyrano[4,3-c]isochromene-7-carbaldehyde | C18H16O8

(6S)-9,10-Dihydroxy-6,8-dimethoxy-1-oxo-3-[(1E)-1-propen-1-yl]-1H,6H-pyrano[4,3-c]isochromene-7-carbaldehyde

  • Molecular FormulaC18H16O8
  • Average mass360.315 Da
  • Monoisotopic mass360.084503 Da
  • ChemSpider ID34994984

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-9,10-Dihydroxy-6,8-dimethoxy-1-oxo-3-[(1E)-1-propen-1-yl]-1H,6H-pyrano[4,3-c]isochromen-7-carbaldehyd [German] [ACD/IUPAC Name]
(6S)-9,10-Dihydroxy-6,8-dimethoxy-1-oxo-3-[(1E)-1-propen-1-yl]-1H,6H-pyrano[4,3-c]isochromene-7-carbaldehyde [ACD/IUPAC Name]
(6S)-9,10-Dihydroxy-6,8-diméthoxy-1-oxo-3-[(1E)-1-propén-1-yl]-1H,6H-pyrano[4,3-c]isochromène-7-carbaldéhyde [French] [ACD/IUPAC Name]
1H,6H-Pyrano[4,3-c][2]benzopyran-7-carboxaldehyde, 9,10-dihydroxy-6,8-dimethoxy-1-oxo-3-[(1E)-1-propen-1-yl]-, (6S)- [ACD/Index Name]
194284-52-1 [RN]
pulvinatal
UNII-W9G684D74R

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

Density: 1.5±0.1 g/cm3
Boiling Point: 617.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 226.8±25.0 °C
Index of Refraction: 1.651
Molar Refractivity: 87.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 25.69
ACD/KOC (pH 5.5): 315.36
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.60
Polar Surface Area: 112 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 70.2±5.0 dyne/cm
Molar Volume: 240.3±5.0 cm3

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