ChemSpider 2D Image | Scillavone B | C18H18O7

Scillavone B

  • Molecular FormulaC18H18O7
  • Average mass346.331 Da
  • Monoisotopic mass346.105255 Da
  • ChemSpider ID32077067
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-3-(3,4-Dihydroxybenzyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3S)-3-(3,4-Dihydroxybenzyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3S)-3-(3,4-Dihydroxybenzyl)-5-hydroxy-6,7-diméthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydro-5-hydroxy-6,7-dimethoxy-, (3S)- [ACD/Index Name]
Scillavone B [INN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 613.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 225.6±25.0 °C
Index of Refraction: 1.639
Molar Refractivity: 88.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 62.56
ACD/KOC (pH 5.5): 669.79
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 32.32
ACD/KOC (pH 7.4): 346.02
Polar Surface Area: 105 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 245.4±3.0 cm3

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