ChemSpider 2D Image | [(4S,5S)-5-{[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4-dihydroxytetrahydro-3-furanyl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate | C30H26O13

[(4S,5S)-5-{[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4-dihydroxytetrahydro-3-furanyl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

  • Molecular FormulaC30H26O13
  • Average mass594.520 Da
  • Monoisotopic mass594.137329 Da
  • ChemSpider ID24844684

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2E)-3-(4-Hydroxy-3-méthoxyphényl)acrylate de [(4S,5S)-5-{[5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yl]oxy}-3,4-dihydroxytétrahydro-3-furanyl]méthyle [French] [ACD/IUPAC Name]
[(4S,5S)-5-{[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4-dihydroxytetrahydro-3-furanyl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate [ACD/IUPAC Name]
[(4S,5S)-5-{[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4-dihydroxytetrahydro-3-furanyl]methyl-(2E)-3-(4-hydroxy-3-methoxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, [(4S,5S)-5-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl]oxy]tetrahydro-3,4-dihydroxy-3-furanyl]methyl ester, (2E)- [ACD/Index Name]
185066-55-1 [RN]
Kaempferol 3-feruloylapioside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 903.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.6±3.0 kJ/mol
Flash Point: 298.2±27.8 °C
Index of Refraction: 1.741
Molar Refractivity: 145.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 36.00
ACD/KOC (pH 5.5): 419.15
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.15
ACD/KOC (pH 7.4): 13.43
Polar Surface Area: 202 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 100.1±5.0 dyne/cm
Molar Volume: 359.3±5.0 cm3

Click to predict properties on the Chemicalize site


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