ChemSpider 2D Image | (1R,2R,3S,4R,5S,6R)-6-Acetoxy-3,5-dihydroxy-1,2,4-cyclohexanetriyl (2Z,2'Z,2''Z)tris(2-methyl-2-butenoate) | C23H32O10

(1R,2R,3S,4R,5S,6R)-6-Acetoxy-3,5-dihydroxy-1,2,4-cyclohexanetriyl (2Z,2'Z,2''Z)tris(2-methyl-2-butenoate)

  • Molecular FormulaC23H32O10
  • Average mass468.494 Da
  • Monoisotopic mass468.199554 Da
  • ChemSpider ID58925089

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2R,3S,4R,5S,6R)-6-Acetoxy-3,5-dihydroxy-1,2,4-cyclohexanetriyl (2Z,2'Z,2''Z)tris(2-methyl-2-butenoate) [ACD/IUPAC Name]
(1R,2R,3S,4R,5S,6R)-6-Acetoxy-3,5-dihydroxy-1,2,4-cyclohexantriyl-(2Z,2'Z,2''Z)tris(2-methyl-2-butenoat) [German] [ACD/IUPAC Name]
(2Z,2'Z,2''Z)Tris(2-méthyl-2-buténoate) de (1R,2R,3S,4R,5S,6R)-6-acétoxy-3,5-dihydroxy-1,2,4-cyclohexanetriyle [French] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (1R,2R,3S,4R,5S,6R)-6-(acetyloxy)-3,5-dihydroxy-1,2,4-cyclohexanetriyl ester, (2Z,2'Z,2''Z)- [ACD/Index Name]
1812890-08-6 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 542.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 94.4±6.0 kJ/mol
    Flash Point: 173.8±23.6 °C
    Index of Refraction: 1.527
    Molar Refractivity: 115.9±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 5.27
    ACD/LogD (pH 5.5): 3.49
    ACD/BCF (pH 5.5): 263.39
    ACD/KOC (pH 5.5): 1880.49
    ACD/LogD (pH 7.4): 3.49
    ACD/BCF (pH 7.4): 263.38
    ACD/KOC (pH 7.4): 1880.39
    Polar Surface Area: 146 Å2
    Polarizability: 46.0±0.5 10-24cm3
    Surface Tension: 49.1±5.0 dyne/cm
    Molar Volume: 376.8±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement