ChemSpider 2D Image | (4S,7Z,9R,10S,13Z,15R,16S)-9,15-Dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione | C16H22O8

(4S,7Z,9R,10S,13Z,15R,16S)-9,15-Dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione

  • Molecular FormulaC16H22O8
  • Average mass342.341 Da
  • Monoisotopic mass342.131470 Da
  • ChemSpider ID31149688

  • 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

(4S,7Z,9R,10S,13Z,15R,16S)-9,15-Dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-dien-2,6,12-trion [German] [ACD/IUPAC Name]
(4S,7Z,9R,10S,13Z,15R,16S)-9,15-Dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione [ACD/IUPAC Name]
(4S,7Z,9R,10S,13Z,15R,16S)-9,15-Dihydroxy-4,10,16-triméthyl-1,5,11-trioxacyclohexadéca-7,13-diène-2,6,12-trione [French] [ACD/IUPAC Name]
1,5,11-Trioxacyclohexadeca-7,13-diene-2,6,12-trione, 9,15-dihydroxy-4,10,16-trimethyl-, (4S,7Z,9R,10S,13Z,15R,16S)- [ACD/Index Name]
172923-77-2 [RN]
macrosphelide A
MacrosphelideA

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 680.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.8 mmHg at 25°C
    Enthalpy of Vaporization: 114.2±6.0 kJ/mol
    Flash Point: 249.1±25.0 °C
    Index of Refraction: 1.481
    Molar Refractivity: 81.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -1.42
    ACD/LogD (pH 5.5): -0.29
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 16.49
    ACD/LogD (pH 7.4): -0.29
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 16.49
    Polar Surface Area: 119 Å2
    Polarizability: 32.4±0.5 10-24cm3
    Surface Tension: 39.0±3.0 dyne/cm
    Molar Volume: 287.0±3.0 cm3

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