ChemSpider 2D Image | Alpinnanin B | C35H34O6

Alpinnanin B

  • Molecular FormulaC35H34O6
  • Average mass550.641 Da
  • Monoisotopic mass550.235535 Da
  • ChemSpider ID9845933

  • 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

(2E)-1-{2,4-Dihydroxy-3-[(1S,2E,5S)-5-hydroxy-1-(4-hydroxyphenyl)-7-phenyl-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-(4-hydroxyphenyl)-7-phenyl-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-(4-hydroxyphényl)-7-phényl-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-(4-hydroxyphenyl)-7-phenyl-2-hepten-1-yl]-6-methoxyphenyl]-3-phenyl-, (2E)- [ACD/Index Name]
Alpinnanin B
(E)-1-[2,4-dihydroxy-3-[(E,1S,5S)-5-hydroxy-1-(4-hydroxyphenyl)-7-phenylhept-2-enyl]-6-methoxyphenyl]-3-phenylprop-2-en-1-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 787.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 252.2±26.4 °C
Index of Refraction: 1.660
Molar Refractivity: 162.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 6.50
ACD/BCF (pH 5.5): 50464.81
ACD/KOC (pH 5.5): 79206.32
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 6622.61
ACD/KOC (pH 7.4): 10394.43
Polar Surface Area: 107 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 440.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement