ChemSpider 2D Image | (2,4-Dihydroxyphenyl){(1R,2R,6S)-6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methyl-3-cyclohexen-1-yl}methanone | C34H28O9

(2,4-Dihydroxyphenyl){(1R,2R,6S)-6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methyl-3-cyclohexen-1-yl}methanone

  • Molecular FormulaC34H28O9
  • Average mass580.581 Da
  • Monoisotopic mass580.173340 Da
  • ChemSpider ID9448232

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2,4-Dihydroxyphenyl){(1R,2R,6S)-6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methyl-3-cyclohexen-1-yl}methanon [German] [ACD/IUPAC Name]
(2,4-Dihydroxyphenyl){(1R,2R,6S)-6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methyl-3-cyclohexen-1-yl}methanone [ACD/IUPAC Name]
(2,4-Dihydroxyphényl){(1R,2R,6S)-6-(2,4-dihydroxyphényl)-2-[2-(3,5-dihydroxyphényl)-6-hydroxy-1-benzofuran-5-yl]-4-méthyl-3-cyclohexén-1-yl}méthanone [French] [ACD/IUPAC Name]
84323-16-0 [RN]
Methanone, (2,4-dihydroxyphenyl)[(1R,2R,6S)-6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-5-benzofuranyl]-4-methyl-3-cyclohexen-1-yl]- [ACD/Index Name]
rel-(-)-(2,4-Dihydroxyphenyl)[(1R,2R,6S)-6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-5-benzofuranyl]-4-methyl-3-cyclohexen-1-yl]methanone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 790.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 431.8±32.9 °C
Index of Refraction: 1.736
Molar Refractivity: 158.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7389.42
ACD/KOC (pH 5.5): 20384.14
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 3733.09
ACD/KOC (pH 7.4): 10297.92
Polar Surface Area: 172 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 75.9±3.0 dyne/cm
Molar Volume: 394.3±3.0 cm3

Click to predict properties on the Chemicalize site


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