ChemSpider 2D Image | (3beta,5xi,6alpha,9beta,16beta,20R,24S)-16,25-Dihydroxy-20,24-epoxy-9,19-cyclolanostane-3,6-diyl diacetate | C34H54O7

(3β,5ξ,6α,9β,16β,20R,24S)-16,25-Dihydroxy-20,24-epoxy-9,19-cyclolanostane-3,6-diyl diacetate

  • Molecular FormulaC34H54O7
  • Average mass574.788 Da
  • Monoisotopic mass574.386963 Da
  • ChemSpider ID17467220

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(3β,5ξ,6α,9β,16β,20R,24S)-16,25-Dihydroxy-20,24-epoxy-9,19-cyclolanostan-3,6-diyl-diacetat [German] [ACD/IUPAC Name]
(3β,5ξ,6α,9β,16β,20R,24S)-16,25-Dihydroxy-20,24-epoxy-9,19-cyclolanostane-3,6-diyl diacetate [ACD/IUPAC Name]
9,19-Cyclolanostane-3,6,16,25-tetrol, 20,24-epoxy-, 3,6-diacetate, (3β,5ξ,6α,9β,16β,20R,24S)- [ACD/Index Name]
Diacétate de (3β,5ξ,6α,9β,16β,20R,24S)-16,25-dihydroxy-20,24-époxy-9,19-cyclolanostane-3,6-diyle [French] [ACD/IUPAC Name]
Cycloastragenol-3,6-diacetate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 632.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.2 mmHg at 25°C
    Enthalpy of Vaporization: 107.2±6.0 kJ/mol
    Flash Point: 190.5±25.0 °C
    Index of Refraction: 1.556
    Molar Refractivity: 155.7±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 5.44
    ACD/LogD (pH 5.5): 5.41
    ACD/BCF (pH 5.5): 7559.19
    ACD/KOC (pH 5.5): 20787.53
    ACD/LogD (pH 7.4): 5.41
    ACD/BCF (pH 7.4): 7559.19
    ACD/KOC (pH 7.4): 20787.53
    Polar Surface Area: 102 Å2
    Polarizability: 61.7±0.5 10-24cm3
    Surface Tension: 48.9±5.0 dyne/cm
    Molar Volume: 484.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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