ChemSpider 2D Image | Cicortonide | C29H37ClFNO7

Cicortonide

  • Molecular FormulaC29H37ClFNO7
  • Average mass566.058 Da
  • Monoisotopic mass565.224243 Da
  • ChemSpider ID16736874

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

19705-61-4 [RN]
2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-2-(2-Chlorethoxy)-12-cyan-4b-fluor-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,9a,10,10a,10b,11-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b -yl]-2-oxoethyl-acetat [German] [ACD/IUPAC Name]
2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-2-(2-Chloroethoxy)-12-cyano-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,9a,10,10a,10b,11-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol -6b-yl]-2-oxoethyl acetate [ACD/IUPAC Name]
3-(2-Chloroethoxy)-9-fluoro-11b,16a,17,21-tetrahydroxy-20-oxopregna-3,5-diene-6-carbonitrile Cyclic 16,17-Acetal with Acetone 21-Acetate
3H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxole-12-carbonitrile, 6b-[2-(acetyloxy)acetyl]-2-(2-chloroethoxy)-4b-fluoro-4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11-dodecahydro-5-hydroxy-4a,6a,8,8-tetramethyl-, (4 aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)- [ACD/Index Name]
Acétate de 2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-2-(2-chloroéthoxy)-12-cyano-4b-fluoro-5-hydroxy-4a,6a,8,8-tétraméthyl-3,4,4a,4b,5,6,6a,9a,10,10a,10b,11-dodécahydro-6bH-naphto[2',1':4,5]indéno[1,2-d][ 1,3]dioxol-6b-yl]-2-oxoéthyle [French] [ACD/IUPAC Name]
Cicortonide [INN]
UNII:UL947A614K
UNII-UL947A614K

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 686.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.8 mmHg at 25°C
    Enthalpy of Vaporization: 115.2±6.0 kJ/mol
    Flash Point: 369.2±31.5 °C
    Index of Refraction: 1.568
    Molar Refractivity: 138.8±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 4.22
    ACD/LogD (pH 5.5): 4.12
    ACD/BCF (pH 5.5): 797.62
    ACD/KOC (pH 5.5): 4156.28
    ACD/LogD (pH 7.4): 4.12
    ACD/BCF (pH 7.4): 797.61
    ACD/KOC (pH 7.4): 4156.27
    Polar Surface Area: 115 Å2
    Polarizability: 55.0±0.5 10-24cm3
    Surface Tension: 53.5±5.0 dyne/cm
    Molar Volume: 424.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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