ChemSpider 2D Image | 3-[4-Methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-4-oxo-4H-chromen-7-yl 2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside | C36H36O11

3-[4-Methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-4-oxo-4H-chromen-7-yl 2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC36H36O11
  • Average mass644.664 Da
  • Monoisotopic mass644.225769 Da
  • ChemSpider ID4943681

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-O-[(2E)-3-(4-Hydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de 3-[4-méthoxy-3-(3-méthyl-2-butén-1-yl)phényl]-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
3-[4-Methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-4-oxo-4H-chromen-7-yl 2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
3-[4-Methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-4-oxo-4H-chromen-7-yl-2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-3-[4-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]- [ACD/Index Name]
126654-66-8 [RN]
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2'-ester with 7-(β-D-glucopyranosyloxy)-3-(4-methoxy-3-(3-methyl-2-butenyl)phenyl)-4H-1-benzopyran-4-one
3-[4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-4-oxo-4H-chromen-7-yl 2-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside
3'-PRENYL-4'-METHOXYISOFLAVONE-7-O-SS-(2'-O-4-COUMAROYL)GLUCOPYRANOSIDE
3'-Prenyl-4'-methoxyisoflavone-7-O-β-(2''-O-4-coumaroyl)glucopyranoside
3'-prenyl-4'-methoxy-isoflavone-7-O-β-D-(2''-O-p-coumaroyl)glucopyranoside
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 851.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.7±3.0 kJ/mol
Flash Point: 268.5±27.8 °C
Index of Refraction: 1.666
Molar Refractivity: 169.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1074.73
ACD/KOC (pH 5.5): 5145.11
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1069.03
ACD/KOC (pH 7.4): 5117.81
Polar Surface Area: 161 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 72.2±5.0 dyne/cm
Molar Volume: 456.3±5.0 cm3

Click to predict properties on the Chemicalize site


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