ChemSpider 2D Image | 3-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-beta-D-fructofuranosyl beta-D-glucopyranoside | C22H30O14

3-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-fructofuranosyl β-D-glucopyranoside

  • Molecular FormulaC22H30O14
  • Average mass518.465 Da
  • Monoisotopic mass518.163574 Da
  • ChemSpider ID64855123

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

3-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-fructofuranosyl β-D-glucopyranoside [ACD/IUPAC Name]
3-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-fructofuranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 3-O-[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]-β-D-fructofuranosyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 3-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-fructofuranosyl [ACD/Index Name]
(E)-(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydrofuran-3-yl 3-(4-hydroxy-3-methoxyphenyl)acrylate
107912-97-0 [RN]
MFCD29078974
sibiricose A5

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 821.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 125.2±3.0 kJ/mol
    Flash Point: 279.7±27.8 °C
    Index of Refraction: 1.663
    Molar Refractivity: 117.6±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 8
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 3
    ACD/LogP: -1.69
    ACD/LogD (pH 5.5): -1.99
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.98
    ACD/LogD (pH 7.4): -1.99
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.97
    Polar Surface Area: 225 Å2
    Polarizability: 46.6±0.5 10-24cm3
    Surface Tension: 95.8±5.0 dyne/cm
    Molar Volume: 317.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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