ChemSpider 2D Image | 4-[(1E)-3-(2,4-Dihydroxyphenyl)-3-oxo-1-propen-1-yl]phenyl 2-O-[(2S,3R,4S)-3,4-dihydroxy-4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}methyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside | C36H38O16

4-[(1E)-3-(2,4-Dihydroxyphenyl)-3-oxo-1-propen-1-yl]phenyl 2-O-[(2S,3R,4S)-3,4-dihydroxy-4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}methyl)tetrahydro-2-furanyl]-β-D-glucopyranoside

  • Molecular FormulaC36H38O16
  • Average mass726.677 Da
  • Monoisotopic mass726.216003 Da
  • ChemSpider ID115270473

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-O-[(2S,3R,4S)-3,4-Dihydroxy-4-({[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]oxy}méthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de 4-[(1E)-3-(2,4-dihydroxyphényl)-3-oxo-1-propén-1-yl]phényle [French] [ACD/IUPAC Name]
4-[(1E)-3-(2,4-Dihydroxyphenyl)-3-oxo-1-propen-1-yl]phenyl 2-O-[(2S,3R,4S)-3,4-dihydroxy-4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}methyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
4-[(1E)-3-(2,4-Dihydroxyphenyl)-3-oxo-1-propen-1-yl]phenyl-2-O-[(2S,3R,4S)-3,4-dihydroxy-4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}methyl)tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-[(1E)-3-(2,4-dihydroxyphenyl)-3-oxo-1-propen-1-yl]phenyl 2-O-[(2S,3R,4S)-tetrahydro-3,4-dihydroxy-4-[[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]methyl]-2-fu ranyl]- [ACD/Index Name]
4,2',4'-Trihydroxychalcone 4-O-(5'''-O-feruloyl)-apiofuranosyl-(1'''->2'')-glucoside
missing

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1005.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.7±3.0 kJ/mol
Flash Point: 314.4±27.8 °C
Index of Refraction: 1.703
Molar Refractivity: 178.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.10
ACD/KOC (pH 5.5): 230.24
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 5.83
ACD/KOC (pH 7.4): 95.14
Polar Surface Area: 251 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 94.0±5.0 dyne/cm
Molar Volume: 459.4±5.0 cm3

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