ChemSpider 2D Image | (5S,9R,16S)-19-Hydroxy-8-[(2R,4E)-6-hydroxy-6-methyl-4-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0~1,13~.0~4,12~.0~5,9~]nonadec-2-en-16-yl D-allopyranoside | C36H58O9

(5S,9R,16S)-19-Hydroxy-8-[(2R,4E)-6-hydroxy-6-methyl-4-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl D-allopyranoside

  • Molecular FormulaC36H58O9
  • Average mass634.840 Da
  • Monoisotopic mass634.408081 Da
  • ChemSpider ID73988154

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 15 defined stereocentres

More details:

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

(5S,9R,16S)-19-Hydroxy-8-[(2R,4E)-6-hydroxy-6-methyl-4-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl D-allopyranoside [ACD/IUPAC Name]
(5S,9R,16S)-19-Hydroxy-8-[(2R,4E)-6-hydroxy-6-methyl-4-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl-D-allopyranosid [German] [ACD/IUPAC Name]
D-Allopyranoside de (5S,9R,16S)-19-hydroxy-8-[(2R,4E)-6-hydroxy-6-méthyl-4-heptén-2-yl]-5,9,17,17-tétraméthyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadéc-2-én-16-yle [French] [ACD/IUPAC Name]
D-Allopyranoside, (3S,13R,14S)-1,3,4,8,10,11,12,13,14,15,16,17-dodecahydro-18-hydroxy-17-[(1R,3E)-5-hydroxy-1,5-dimethyl-3-hexen-1-yl]-4,4,13,14-tetramethyl-5,9-(epoxymethano)-2H-cyclopenta[a]phenanth ren-3-yl [ACD/Index Name]
1011726-62-7 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 753.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.7 mmHg at 25°C
    Enthalpy of Vaporization: 125.3±6.0 kJ/mol
    Flash Point: 409.7±32.9 °C
    Index of Refraction: 1.598
    Molar Refractivity: 170.6±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 6
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 3.66
    ACD/LogD (pH 5.5): 2.79
    ACD/BCF (pH 5.5): 77.45
    ACD/KOC (pH 5.5): 782.99
    ACD/LogD (pH 7.4): 2.79
    ACD/BCF (pH 7.4): 77.44
    ACD/KOC (pH 7.4): 782.98
    Polar Surface Area: 149 Å2
    Polarizability: 67.6±0.5 10-24cm3
    Surface Tension: 59.5±5.0 dyne/cm
    Molar Volume: 500.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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