ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)ethyl 3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside | C33H42O19

2-(3,4-Dihydroxyphenyl)ethyl 3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-2-O-β-D-xylopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC33H42O19
  • Average mass742.675 Da
  • Monoisotopic mass742.232056 Da
  • ChemSpider ID24667690

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)ethyl 3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-2-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)ethyl-3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-2-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-4-O-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-2-O-β-D-xylopyranosyl-β-D-glucopyranoside de 2-(3,4-dihydroxyphényl)éthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-3-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-2-O-β-D-xylopyranos yl- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1029.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.6±3.0 kJ/mol
Flash Point: 322.8±27.8 °C
Index of Refraction: 1.705
Molar Refractivity: 171.4±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.78
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.44
Polar Surface Area: 304 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 107.4±5.0 dyne/cm
Molar Volume: 441.0±5.0 cm3

Click to predict properties on the Chemicalize site


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