ChemSpider 2D Image | 5-{(E)-2-[(2S,3S)-3-(3,5-Dihydroxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]vinyl}-1,3-benzenediol | C30H26O8

5-{(E)-2-[(2S,3S)-3-(3,5-Dihydroxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]vinyl}-1,3-benzenediol

  • Molecular FormulaC30H26O8
  • Average mass514.523 Da
  • Monoisotopic mass514.162781 Da
  • ChemSpider ID8777270

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Benzenediol, 5-[(2R,3R)-5-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-benzofuranyl]-, rel-
1,3-Benzenediol, 5-[(E)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-benzofuranyl]ethenyl]- [ACD/Index Name]
291535-64-3 [RN]
5-{(E)-2-[(2S,3S)-3-(3,5-Dihydroxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]vinyl}-1,3-benzenediol [ACD/IUPAC Name]
5-{(E)-2-[(2S,3S)-3-(3,5-Dihydroxyphényl)-2-(4-hydroxy-3-méthoxyphényl)-7-méthoxy-2,3-dihydro-1-benzofuran-5-yl]vinyl}-1,3-benzènediol [French] [ACD/IUPAC Name]
5-{(E)-2-[(2S,3S)-3-(3,5-Dihydroxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]vinyl}-1,3-benzoldiol [German] [ACD/IUPAC Name]
291535-65-4 [RN]
5-[(E)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]ethenyl]benzene-1,3-diol
Isorhaponigetinin dimer
Shegansu B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 725.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 392.8±32.9 °C
Index of Refraction: 1.732
Molar Refractivity: 144.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 455.72
ACD/KOC (pH 5.5): 2783.84
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 440.22
ACD/KOC (pH 7.4): 2689.15
Polar Surface Area: 129 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 70.8±3.0 dyne/cm
Molar Volume: 361.3±3.0 cm3

Click to predict properties on the Chemicalize site


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