ChemSpider 2D Image | [(2R,3S,5S)-3-Hydroxy-2,5-dimethoxytetrahydro-3-furanyl]methyl 4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside | C22H30O13

[(2R,3S,5S)-3-Hydroxy-2,5-dimethoxytetrahydro-3-furanyl]methyl 4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC22H30O13
  • Average mass502.466 Da
  • Monoisotopic mass502.168640 Da
  • ChemSpider ID24678520
  • 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

[(2R,3S,5S)-3-Hydroxy-2,5-dimethoxytetrahydro-3-furanyl]methyl 4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
[(2R,3S,5S)-3-Hydroxy-2,5-dimethoxytetrahydro-3-furanyl]methyl-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-[(2E)-3-(3,4-Dihydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de [(2R,3S,5S)-3-hydroxy-2,5-diméthoxytétrahydro-3-furanyl]méthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, [(2R,3S,5S)-tetrahydro-3-hydroxy-2,5-dimethoxy-3-furanyl]methyl 4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 758.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 258.2±26.4 °C
Index of Refraction: 1.627
Molar Refractivity: 116.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.62
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.16
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.80
Polar Surface Area: 194 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 79.9±5.0 dyne/cm
Molar Volume: 328.2±5.0 cm3

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