ChemSpider 2D Image | Flunisolide 21-acetate | C26H33FO7

Flunisolide 21-acetate

  • Molecular FormulaC26H33FO7
  • Average mass476.534 Da
  • Monoisotopic mass476.221039 Da
  • ChemSpider ID30791899

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

Flunisolide 21-acetate
2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS,12S)-12-Fluor-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl -acetat [German] [ACD/IUPAC Name]
2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS,12S)-12-Fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethy l acetate [ACD/IUPAC Name]
2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 6b-[2-(acetyloxy)acetyl]-12-fluoro-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-4a,6a,8,8-tetramethyl-, (4aR,4bS,5S,6aS,6bS,9aR,10aS,10 bS,12S)- [ACD/Index Name]
Acétate de 2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS,12S)-12-fluoro-5-hydroxy-4a,6a,8,8-tétraméthyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodécahydro-6bH-naphto[2',1':4,5]indéno[1,2-d][1,3]dioxol-6b-yl] -2-oxoéthyle [French] [ACD/IUPAC Name]
flunisolide acetate
N225H64CIH
D04214
Flunisolide acetate (USAN)
UNII:N225H64CIH
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 593.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.6±6.0 kJ/mol
Flash Point: 313.0±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 118.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 168.51
ACD/KOC (pH 5.5): 1365.95
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 168.51
ACD/KOC (pH 7.4): 1365.95
Polar Surface Area: 99 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 363.4±5.0 cm3

Click to predict properties on the Chemicalize site


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