ChemSpider 2D Image | (2alpha,3beta,5alpha,9xi,14xi,25R)-2,3-Dihydroxyspirostan-6-one | C27H42O5

(2α,3β,5α,9ξ,14ξ,25R)-2,3-Dihydroxyspirostan-6-one

  • Molecular FormulaC27H42O5
  • Average mass446.619 Da
  • Monoisotopic mass446.303223 Da
  • ChemSpider ID22874983

  • defined stereocentres - 11 of 13 defined stereocentres

More details:

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

(2α,3β,5α,9ξ,14ξ,25R)-2,3-Dihydroxyspirostan-6-on [German] [ACD/IUPAC Name]
(2α,3β,5α,9ξ,14ξ,25R)-2,3-Dihydroxyspirostan-6-one [ACD/IUPAC Name]
(2α,3β,5α,9ξ,14ξ,25R)-2,3-Dihydroxyspirostan-6-one [French] [ACD/IUPAC Name]
Spirostan-6-one, 2,3-dihydroxy-, (2α,3β,5α,9ξ,14ξ,25R)- [ACD/Index Name]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 566.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.5 mmHg at 25°C
    Enthalpy of Vaporization: 97.7±6.0 kJ/mol
    Flash Point: 183.8±23.6 °C
    Index of Refraction: 1.571
    Molar Refractivity: 121.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 3.11
    ACD/LogD (pH 5.5): 3.10
    ACD/BCF (pH 5.5): 133.41
    ACD/KOC (pH 5.5): 1155.60
    ACD/LogD (pH 7.4): 3.10
    ACD/BCF (pH 7.4): 133.41
    ACD/KOC (pH 7.4): 1155.60
    Polar Surface Area: 76 Å2
    Polarizability: 48.1±0.5 10-24cm3
    Surface Tension: 50.4±5.0 dyne/cm
    Molar Volume: 369.0±5.0 cm3

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