ChemSpider 2D Image | Scillavone A | C18H16O7

Scillavone A

  • Molecular FormulaC18H16O7
  • Average mass344.315 Da
  • Monoisotopic mass344.089600 Da
  • ChemSpider ID32077066

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(+)-Scillavone A
(7S)-2,5',7'-Trihydroxy-3,4-dimethoxy-4'H-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-chromen]-4'-one [ACD/IUPAC Name]
Scillavone A [Wiki]
Spiro[2H-1-benzopyran-3(4H),7'-bicyclo[4.2.0]octa[1,3,5]trien]-4-one, 2',5,7-trihydroxy-3',4'-dimethoxy-, (3S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 636.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 237.0±25.0 °C
Index of Refraction: 1.719
Molar Refractivity: 85.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 83.68
ACD/KOC (pH 5.5): 816.71
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 16.63
ACD/KOC (pH 7.4): 162.35
Polar Surface Area: 105 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 87.5±5.0 dyne/cm
Molar Volume: 215.7±5.0 cm3

Click to predict properties on the Chemicalize site


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