ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)ethyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-3-O-beta-L-glucopyranosyl-beta-L-glucopyranoside | C29H36O16

2-(3,4-Dihydroxyphenyl)ethyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-3-O-β-L-glucopyranosyl-β-L-glucopyranoside

  • Molecular FormulaC29H36O16
  • Average mass640.586 Da
  • Monoisotopic mass640.200317 Da
  • ChemSpider ID82965632

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)ethyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-3-O-β-L-glucopyranosyl-β-L-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)ethyl-6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-3-O-β-L-glucopyranosyl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2E)-3-(3,4-Dihydroxyphényl)-2-propenoyl]-3-O-β-L-glucopyranosyl-β-L-glucopyranoside de 2-(3,4-dihydroxyphényl)éthyle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-3-O-β-L-glucopyranosyl- [ACD/Index Name]
[(2S,3S,4R,5S,6S)-6-[2-(3,4-Dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
147331-98-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 988.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.9±3.0 kJ/mol
Flash Point: 320.0±27.8 °C
Index of Refraction: 1.705
Molar Refractivity: 149.9±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -0.65
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.53
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.44
Polar Surface Area: 266 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 105.6±5.0 dyne/cm
Molar Volume: 385.8±5.0 cm3

Click to predict properties on the Chemicalize site


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