ChemSpider 2D Image | (1R)-5,5',6,6',7,7'-Hexahydroxy-4,8'-dimethyl-3H-spiro[2-benzofuran-1,3'-isochromen]-4'(1'H)-one | C18H16O9

(1R)-5,5',6,6',7,7'-Hexahydroxy-4,8'-dimethyl-3H-spiro[2-benzofuran-1,3'-isochromen]-4'(1'H)-one

  • Molecular FormulaC18H16O9
  • Average mass376.314 Da
  • Monoisotopic mass376.079437 Da
  • ChemSpider ID32674800

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-5,5',6,6',7,7'-Hexahydroxy-4,8'-dimethyl-3H-spiro[2-benzofuran-1,3'-isochromen]-4'(1'H)-on [German] [ACD/IUPAC Name]
(1R)-5,5',6,6',7,7'-Hexahydroxy-4,8'-dimethyl-3H-spiro[2-benzofuran-1,3'-isochromen]-4'(1'H)-one [ACD/IUPAC Name]
(1R)-5,5',6,6',7,7'-Hexahydroxy-4,8'-diméthyl-3H-spiro[2-benzofuran-1,3'-isochromen]-4'(1'H)-one [French] [ACD/IUPAC Name]
Spiro[3H-2-benzopyran-3,1'(3'H)-isobenzofuran]-4(1H)-one, 5,5',6,6',7,7'-hexahydroxy-4',8-dimethyl-, (3R)- [ACD/Index Name]
eleganketal
Eleganketal A

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

Density: 1.9±0.1 g/cm3
Boiling Point: 809.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.7±3.0 kJ/mol
Flash Point: 297.7±27.8 °C
Index of Refraction: 1.830
Molar Refractivity: 87.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 72.04
ACD/KOC (pH 5.5): 737.29
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 20.52
ACD/KOC (pH 7.4): 209.96
Polar Surface Area: 157 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 137.0±5.0 dyne/cm
Molar Volume: 200.3±5.0 cm3

Click to predict properties on the Chemicalize site


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