ChemSpider 2D Image | (3alpha,5alpha,25R)-12-Oxospirostan-3-yl butyrate | C31H48O5

(3α,5α,25R)-12-Oxospirostan-3-yl butyrate

  • Molecular FormulaC31H48O5
  • Average mass500.710 Da
  • Monoisotopic mass500.350189 Da
  • ChemSpider ID17468858

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3α,5α,25R)-12-Oxospirostan-3-yl butyrate [ACD/IUPAC Name]
(3α,5α,25R)-12-Oxospirostan-3-ylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, (3α,5α,25R)-12-oxospirostan-3-yl ester [ACD/Index Name]
Butyrate de (3α,5α,25R)-12-oxospirostan-3-yle [French] [ACD/IUPAC Name]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 579.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.7±3.0 kJ/mol
    Flash Point: 270.7±18.1 °C
    Index of Refraction: 1.541
    Molar Refractivity: 138.6±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 6.18
    ACD/LogD (pH 5.5): 5.92
    ACD/BCF (pH 5.5): 18626.31
    ACD/KOC (pH 5.5): 39640.86
    ACD/LogD (pH 7.4): 5.92
    ACD/BCF (pH 7.4): 18626.31
    ACD/KOC (pH 7.4): 39640.86
    Polar Surface Area: 62 Å2
    Polarizability: 55.0±0.5 10-24cm3
    Surface Tension: 44.2±5.0 dyne/cm
    Molar Volume: 441.1±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement