ChemSpider 2D Image | (2S)-2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(2-isopropenyl-5-methyl-4-hexen-1-yl)-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-one | C30H36O6

(2S)-2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(2-isopropenyl-5-methyl-4-hexen-1-yl)-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC30H36O6
  • Average mass492.603 Da
  • Monoisotopic mass492.251190 Da
  • ChemSpider ID57579924

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(2-isopropenyl-5-methyl-4-hexen-1-yl)-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(2-isopropenyl-5-methyl-4-hexen-1-yl)-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-2-(2,4-Dihydroxyphényl)-5,7-dihydroxy-8-(2-isopropényl-5-méthyl-4-hexén-1-yl)-6-(3-méthyl-2-butén-1-yl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-8-[5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-, (2S)- [ACD/Index Name]
99217-64-8 [RN]
Kushenol B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 702.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 228.2±26.4 °C
Index of Refraction: 1.605
Molar Refractivity: 141.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.61
ACD/LogD (pH 5.5): 7.77
ACD/BCF (pH 5.5): 470243.97
ACD/KOC (pH 5.5): 399302.16
ACD/LogD (pH 7.4): 7.64
ACD/BCF (pH 7.4): 351146.50
ACD/KOC (pH 7.4): 298171.97
Polar Surface Area: 107 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 411.0±3.0 cm3

Click to predict properties on the Chemicalize site


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