ChemSpider 2D Image | (2E)-[(4S,6R)-6-(beta-D-Glucopyranosyloxy)-4-hydroxy-2-cyclohexen-1-ylidene]acetonitrile | C14H19NO7

(2E)-[(4S,6R)-6-(β-D-Glucopyranosyloxy)-4-hydroxy-2-cyclohexen-1-ylidene]acetonitrile

  • Molecular FormulaC14H19NO7
  • Average mass313.303 Da
  • Monoisotopic mass313.116150 Da
  • ChemSpider ID32697098

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2E)-[(4S,6R)-6-(β-D-Glucopyranosyloxy)-4-hydroxy-2-cyclohexen-1-yliden]acetonitril [German] [ACD/IUPAC Name]
(2E)-[(4S,6R)-6-(β-D-Glucopyranosyloxy)-4-hydroxy-2-cyclohexen-1-ylidene]acetonitrile [ACD/IUPAC Name]
(2E)-[(4S,6R)-6-(β-D-Glucopyranosyloxy)-4-hydroxy-2-cyclohexén-1-ylidène]acétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-[(4S,6R)-6-(β-D-glucopyranosyloxy)-4-hydroxy-2-cyclohexen-1-ylidene]-, (2E)- [ACD/Index Name]
67765-58-6 [RN]
Menisdaurin

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 632.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.2 mmHg at 25°C
    Enthalpy of Vaporization: 107.2±6.0 kJ/mol
    Flash Point: 336.6±31.5 °C
    Index of Refraction: 1.630
    Molar Refractivity: 73.3±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 5
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: -3.21
    ACD/LogD (pH 5.5): -2.48
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.07
    ACD/LogD (pH 7.4): -2.48
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.07
    Polar Surface Area: 143 Å2
    Polarizability: 29.1±0.5 10-24cm3
    Surface Tension: 83.9±5.0 dyne/cm
    Molar Volume: 206.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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