ChemSpider 2D Image | (8S,16Z)-5-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-8-methyl-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione | C28H30O8

(8S,16Z)-5-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-8-methyl-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione

  • Molecular FormulaC28H30O8
  • Average mass494.533 Da
  • Monoisotopic mass494.194061 Da
  • ChemSpider ID64866643

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(8S,16Z)-5-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-8-methyl-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromen-2,6,12(3H)-trion [German] [ACD/IUPAC Name]
(8S,16Z)-5-Hydroxy-4-(3-hydroxy-4-methoxyphenyl)-8-methyl-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione [ACD/IUPAC Name]
(8S,16Z)-5-Hydroxy-4-(3-hydroxy-4-méthoxyphényl)-8-méthyl-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotétradécino[3,4-g]chromène-2,6,12(3H)-trione [French] [ACD/IUPAC Name]
2H,6H-Pyrano[2,3-o][2]benzoxacyclotetradecin-2,6,12(3H)-trione, 4,8,9,10,11,13,14,15-octahydro-5-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-8-methyl-, (8S,16Z)- [ACD/Index Name]
(8S)-5-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-8-methyl-3,4,8,9,10,11,14,15-octahydro-[1]oxacyclotetradecino[3,4-g]chromene-2,6,12(13H)-trione

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 681.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.6±3.0 kJ/mol
    Flash Point: 225.6±25.0 °C
    Index of Refraction: 1.574
    Molar Refractivity: 130.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.08
    ACD/LogD (pH 5.5): 4.42
    ACD/BCF (pH 5.5): 1331.57
    ACD/KOC (pH 5.5): 5902.33
    ACD/LogD (pH 7.4): 3.69
    ACD/BCF (pH 7.4): 250.04
    ACD/KOC (pH 7.4): 1108.34
    Polar Surface Area: 119 Å2
    Polarizability: 51.7±0.5 10-24cm3
    Surface Tension: 48.6±3.0 dyne/cm
    Molar Volume: 394.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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