ChemSpider 2D Image | (8S,16Z)-4-(3,4-Dimethoxyphenyl)-5-hydroxy-8-methyl-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione | C29H32O8

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

  • Molecular FormulaC29H32O8
  • Average mass508.560 Da
  • Monoisotopic mass508.209717 Da
  • ChemSpider ID64849466

  • 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)-4-(3,4-Dimethoxyphenyl)-5-hydroxy-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)-4-(3,4-Dimethoxyphenyl)-5-hydroxy-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)-4-(3,4-Diméthoxyphényl)-5-hydroxy-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-(3,4-dimethoxyphenyl)-4,8,9,10,11,13,14,15-octahydro-5-hydroxy-8-methyl-, (8S,16Z)- [ACD/Index Name]
(8S)-4-(3,4-dimethoxyphenyl)-5-hydroxy-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: 1.2±0.1 g/cm3
    Boiling Point: 663.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 101.1±3.0 kJ/mol
    Flash Point: 216.0±25.0 °C
    Index of Refraction: 1.556
    Molar Refractivity: 135.1±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 4.85
    ACD/LogD (pH 5.5): 4.16
    ACD/BCF (pH 5.5): 841.03
    ACD/KOC (pH 5.5): 4246.15
    ACD/LogD (pH 7.4): 3.42
    ACD/BCF (pH 7.4): 155.13
    ACD/KOC (pH 7.4): 783.18
    Polar Surface Area: 108 Å2
    Polarizability: 53.6±0.5 10-24cm3
    Surface Tension: 44.6±3.0 dyne/cm
    Molar Volume: 420.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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