ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 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 | C36H36O17

5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 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 FormulaC36H36O17
  • Average mass740.661 Da
  • Monoisotopic mass740.195251 Da
  • ChemSpider ID24639839

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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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 5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 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]
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-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, 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 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-fura nyl]- [ACD/Index Name]
apigenin-7-O-[2''-O-(5'''-O-feruloyl)-b-D-apiofuranosyl]-b-D-glucopyranoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1037.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 158.9±3.0 kJ/mol
Flash Point: 325.5±27.8 °C
Index of Refraction: 1.728
Molar Refractivity: 177.5±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.41
ACD/KOC (pH 5.5): 94.56
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.73
Polar Surface Area: 261 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 101.7±5.0 dyne/cm
Molar Volume: 445.9±5.0 cm3

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