ChemSpider 2D Image | 4-[(2E)-3-(2-Furyl)-2-propenoyl]phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside | C27H29NO11

4-[(2E)-3-(2-Furyl)-2-propenoyl]phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside

  • Molecular FormulaC27H29NO11
  • Average mass543.519 Da
  • Monoisotopic mass543.174072 Da
  • ChemSpider ID17463632

  • 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-Acétamido-3,4,6-tri-O-acétyl-2-désoxy-β-D-glucopyranoside de 4-[(2E)-3-(2-furyl)-2-propenoyl]phényle [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-(2-furanyl)-1-[4-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]phenyl]-, (2E)- [ACD/Index Name]
4-[(2E)-3-(2-Furyl)-2-propenoyl]phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside [ACD/IUPAC Name]
4-[(2E)-3-(2-Furyl)-2-propenoyl]phenyl-2-acetamido-3,4,6-tri-O-acetyl-2-desoxy-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(2R,3S,4R,5R,6S)-5-acetamido-2-(acetoxymethyl)-6-(4-((E)-3-(furan-2-yl)acryloyl)phenoxy)tetrahydro-2H-pyran-3,4-diyl diacetate
[(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]phenoxy]oxan-2-yl]methyl acetate
956158-19-3 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 716.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.7±3.0 kJ/mol
    Flash Point: 387.1±32.9 °C
    Index of Refraction: 1.568
    Molar Refractivity: 133.4±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 1
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 3.37
    ACD/LogD (pH 5.5): 2.53
    ACD/BCF (pH 5.5): 49.37
    ACD/KOC (pH 5.5): 567.27
    ACD/LogD (pH 7.4): 2.53
    ACD/BCF (pH 7.4): 49.37
    ACD/KOC (pH 7.4): 567.27
    Polar Surface Area: 157 Å2
    Polarizability: 52.9±0.5 10-24cm3
    Surface Tension: 56.0±5.0 dyne/cm
    Molar Volume: 407.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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