ChemSpider 2D Image | (1R,2R,4S,5S,7R,8R,9R,10R,11S,13R,16S,17R)-11-Ethyl-13-methyl-6-methylene-11-azahexacyclo[7.7.2.1~5,8~.0~1,10~.0~2,8~.0~13,17~]nonadecane-4,7,16-triol 11-oxide | C22H33NO4

(1R,2R,4S,5S,7R,8R,9R,10R,11S,13R,16S,17R)-11-Ethyl-13-methyl-6-methylene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol 11-oxide

  • Molecular FormulaC22H33NO4
  • Average mass375.502 Da
  • Monoisotopic mass375.240967 Da
  • ChemSpider ID22875034

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(1R,2R,4S,5S,7R,8R,9R,10R,11S,13R,16S,17R) 11-Oxyde de 11-éthyl-13-méthyl-6-méthylène-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadécane-4,7,16-triol [French] [ACD/IUPAC Name]
(1R,2R,4S,5S,7R,8R,9R,10R,11S,13R,16S,17R)-11-Ethyl-13-methyl-6-methylen-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4,7,16-triol-11-oxid [German] [ACD/IUPAC Name]
(1R,2R,4S,5S,7R,8R,9R,10R,11S,13R,16S,17R)-11-Ethyl-13-methyl-6-methylene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol 11-oxide [ACD/IUPAC Name]

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

    Density:
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.52
    ACD/LogD (pH 5.5): -0.19
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 17.40
    ACD/LogD (pH 7.4): -0.12
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 20.48
    Polar Surface Area: 78 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

    Click to predict properties on the Chemicalize site


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