ChemSpider 2D Image | (11beta,16alpha)-11,17-Dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl beta-D-galactopyranoside | C28H40O10

(11β,16α)-11,17-Dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl β-D-galactopyranoside

  • Molecular FormulaC28H40O10
  • Average mass536.611 Da
  • Monoisotopic mass536.262146 Da
  • ChemSpider ID24603571

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(11β,16α)-11,17-Dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl β-D-galactopyranoside [ACD/IUPAC Name]
(11β,16α)-11,17-Dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 21-(β-D-galactopyranosyloxy)-11,17-dihydroxy-16-methyl-, (11β,16α)- [ACD/Index Name]
β-D-Galactopyranoside de (11β,16α)-11,17-dihydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
319426-57-8 [RN]
Dexamethasone 21-O-Å-D-Galactopyranoside
Dexamethasone 21-O-b-D-galactopyranose

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 782.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±6.1 mmHg at 25°C
    Enthalpy of Vaporization: 129.8±6.0 kJ/mol
    Flash Point: 257.6±26.4 °C
    Index of Refraction: 1.630
    Molar Refractivity: 133.8±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 6
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 3
    ACD/LogP: -0.33
    ACD/LogD (pH 5.5): 0.33
    ACD/BCF (pH 5.5): 1.04
    ACD/KOC (pH 5.5): 35.88
    ACD/LogD (pH 7.4): 0.33
    ACD/BCF (pH 7.4): 1.04
    ACD/KOC (pH 7.4): 35.88
    Polar Surface Area: 174 Å2
    Polarizability: 53.0±0.5 10-24cm3
    Surface Tension: 72.5±5.0 dyne/cm
    Molar Volume: 376.1±5.0 cm3

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