Found 5 results

Search term: CIOLMTLOCUJIMU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-[(2E)-3-Phenyl-2-propenoyl]phenyl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside | C29H30O11

4-[(2E)-3-Phenyl-2-propenoyl]phenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC29H30O11
  • Average mass554.542 Da
  • Monoisotopic mass554.178833 Da
  • ChemSpider ID4650214

  • 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

2,3,4,6-Tétra-O-acétyl-β-D-glucopyranoside de 4-[(2E)-3-phényl-2-propenoyl]phényle [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-phenyl-1-[4-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]phenyl]-, (2E)- [ACD/Index Name]
4-[(2E)-3-Phenyl-2-propenoyl]phenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
4-[(2E)-3-Phenyl-2-propenoyl]phenyl-2,3,4,6-tetra-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[(E)-3-phenylprop-2-enoyl]phenoxy]oxan-2-yl]methyl acetate
3,5-di(acetyloxy)-2-[(acetyloxy)methyl]-6-(4-cinnamoylphenoxy)tetrahydro-2H-pyran-4-yl acetate
870699-51-7 [RN]
MFCD00208205 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 650.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.8±3.0 kJ/mol
    Flash Point: 272.9±31.5 °C
    Index of Refraction: 1.570
    Molar Refractivity: 139.0±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 0
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 2
    ACD/LogP: 4.97
    ACD/LogD (pH 5.5): 3.77
    ACD/BCF (pH 5.5): 428.64
    ACD/KOC (pH 5.5): 2664.75
    ACD/LogD (pH 7.4): 3.77
    ACD/BCF (pH 7.4): 428.64
    ACD/KOC (pH 7.4): 2664.75
    Polar Surface Area: 141 Å2
    Polarizability: 55.1±0.5 10-24cm3
    Surface Tension: 54.7±5.0 dyne/cm
    Molar Volume: 423.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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