ChemSpider 2D Image | Fluticasone propionate | C25H31F3O5S

Fluticasone propionate

  • Molecular FormulaC25H31F3O5S
  • Average mass500.571 Da
  • Monoisotopic mass500.184418 Da
  • ChemSpider ID392059

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(6a,11b,16a,17a)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)androsta-1,4-diene-17-carbothioic Acid S-(Fluoromethyl) Ester
(6α,11β,16α,17α)-6,9-Difluor-17-{[(fluormethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-ylpropionat [German] [ACD/IUPAC Name]
(6α,11β,16α,17α)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)androsta-1,4-diene-17-carbothioic acid S-(fluoromethyl) ester
(6α,11β,16α,17α)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl propanoate
(6α,11β,16α,17α)-6,9-Difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl propionate [ACD/IUPAC Name]
80474-14-2 [RN]
90566-53-3 [RN]
948566-12-9 [RN]
Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-, S-(fluoromethyl) ester, (6α,11β,16α,17α)- [ACD/Index Name]
BV7980000
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:31441 [DBID]
CCI-18781 [DBID]
D01708 [DBID]
FN-25 [DBID]
Prestwick0_000997 [DBID]
Prestwick1_000997 [DBID]
SPBio_002984 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 568.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.5 mmHg at 25°C
    Enthalpy of Vaporization: 98.0±6.0 kJ/mol
    Flash Point: 297.5±30.1 °C
    Index of Refraction: 1.556
    Molar Refractivity: 121.1±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 3.73
    ACD/LogD (pH 5.5): 3.71
    ACD/BCF (pH 5.5): 391.28
    ACD/KOC (pH 5.5): 2496.35
    ACD/LogD (pH 7.4): 3.71
    ACD/BCF (pH 7.4): 391.27
    ACD/KOC (pH 7.4): 2496.33
    Polar Surface Area: 106 Å2
    Polarizability: 48.0±0.5 10-24cm3
    Surface Tension: 48.1±5.0 dyne/cm
    Molar Volume: 377.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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