ChemSpider 2D Image | (2E)-1-{2,4-Dihydroxy-3-[(1S,2E,5S)-5-hydroxy-1,7-diphenyl-2-hepten-1-yl]-6-methoxyphenyl}-3-phenyl-2-propen-1-one | C35H34O5

(2E)-1-{2,4-Dihydroxy-3-[(1S,2E,5S)-5-hydroxy-1,7-diphenyl-2-hepten-1-yl]-6-methoxyphenyl}-3-phenyl-2-propen-1-one

  • Molecular FormulaC35H34O5
  • Average mass534.641 Da
  • Monoisotopic mass534.240601 Da
  • ChemSpider ID28287292

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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(2E)-1-{2,4-Dihydroxy-3-[(1S,2E,5S)-5-hydroxy-1,7-diphenyl-2-hepten-1-yl]-6-methoxyphenyl}-3-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-{2,4-Dihydroxy-3-[(1S,2E,5S)-5-hydroxy-1,7-diphenyl-2-hepten-1-yl]-6-methoxyphenyl}-3-phenyl-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-{2,4-Dihydroxy-3-[(1S,2E,5S)-5-hydroxy-1,7-diphényl-2-heptén-1-yl]-6-méthoxyphényl}-3-phényl-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[2,4-dihydroxy-3-[(1S,2E,5S)-5-hydroxy-1,7-diphenyl-2-hepten-1-yl]-6-methoxyphenyl]-3-phenyl-, (2E)- [ACD/Index Name]
katsumain A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 749.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 239.6±26.4 °C
Index of Refraction: 1.647
Molar Refractivity: 160.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 7.05
ACD/BCF (pH 5.5): 131272.31
ACD/KOC (pH 5.5): 156473.52
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 14860.19
ACD/KOC (pH 7.4): 17712.99
Polar Surface Area: 87 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 442.1±3.0 cm3

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