ChemSpider 2D Image | (2E)-1-(2,4-Dihydroxy-3-{(2R,4R,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]tetrahydro-2H-pyran-4-yl}-6-methoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one | C35H34O8

(2E)-1-(2,4-Dihydroxy-3-{(2R,4R,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]tetrahydro-2H-pyran-4-yl}-6-methoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one

  • Molecular FormulaC35H34O8
  • Average mass582.640 Da
  • Monoisotopic mass582.225342 Da
  • ChemSpider ID23327634

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2E)-1-(2,4-Dihydroxy-3-{(2R,4R,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]tetrahydro-2H-pyran-4-yl}-6-methoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(2,4-Dihydroxy-3-{(2R,4R,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]tetrahydro-2H-pyran-4-yl}-6-methoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(2,4-Dihydroxy-3-{(2R,4R,6S)-2-(4-hydroxyphényl)-6-[2-(4-hydroxyphényl)éthyl]tétrahydro-2H-pyran-4-yl}-6-méthoxyphényl)-3-(4-hydroxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[2,4-dihydroxy-6-methoxy-3-[(2R,4R,6S)-tetrahydro-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]-2H-pyran-4-yl]phenyl]-3-(4-hydroxyphenyl)-, (2E)- [ACD/Index Name]
(2E)-1-(2,4-dihydroxy-3-{(2R,4R,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]tetrahydro-2H-pyran-4-yl}-6-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
epicalyxin F
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL451268/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 845.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.1±3.0 kJ/mol
Flash Point: 271.9±27.8 °C
Index of Refraction: 1.668
Molar Refractivity: 164.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15336.01
ACD/KOC (pH 5.5): 34114.80
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 3602.02
ACD/KOC (pH 7.4): 8012.66
Polar Surface Area: 137 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 440.7±3.0 cm3

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