ChemSpider 2D Image | (1S,4S,8R,9R,12S,13S,16S)-9,14-Dihydroxy-7,7-dimethyl-17-methylene-3,10-dioxapentacyclo[14.2.1.0~1,13~.0~4,12~.0~8,12~]nonadecane-2,18-dione | C20H26O6

(1S,4S,8R,9R,12S,13S,16S)-9,14-Dihydroxy-7,7-dimethyl-17-methylene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione

  • Molecular FormulaC20H26O6
  • Average mass362.417 Da
  • Monoisotopic mass362.172943 Da
  • ChemSpider ID64863436

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1S,4S,8R,9R,12S,13S,16S)-9,14-Dihydroxy-7,7-dimethyl-17-methylen-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-2,18-dion [German] [ACD/IUPAC Name]
(1S,4S,8R,9R,12S,13S,16S)-9,14-Dihydroxy-7,7-dimethyl-17-methylene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione [ACD/IUPAC Name]
(1S,4S,8R,9R,12S,13S,16S)-9,14-Dihydroxy-7,7-diméthyl-17-méthylène-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadécane-2,18-dione [French] [ACD/IUPAC Name]
5H-5a,8-Methano-11H-cyclohepta[c]furo[3,4-e][1]benzopyran-5,6(7H)-dione, decahydro-10,13-dihydroxy-1,1-dimethyl-7-methylene-, (3aS,5aS,8S,10aS,10bS,13R,13aR)- [ACD/Index Name]
10391-09-0 [RN]
MFCD20261062
nodosin

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 615.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.0 mmHg at 25°C
    Enthalpy of Vaporization: 104.7±6.0 kJ/mol
    Flash Point: 222.1±25.0 °C
    Index of Refraction: 1.602
    Molar Refractivity: 90.7±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -0.13
    ACD/LogD (pH 5.5): 0.52
    ACD/BCF (pH 5.5): 1.47
    ACD/KOC (pH 5.5): 45.90
    ACD/LogD (pH 7.4): 0.52
    ACD/BCF (pH 7.4): 1.47
    ACD/KOC (pH 7.4): 45.90
    Polar Surface Area: 93 Å2
    Polarizability: 35.9±0.5 10-24cm3
    Surface Tension: 58.4±5.0 dyne/cm
    Molar Volume: 264.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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