ChemSpider 2D Image | Ciclesonide-d7 | C32H37D7O7

Ciclesonide-d7

  • Molecular FormulaC32H37D7O7
  • Average mass547.731 Da
  • Monoisotopic mass547.352661 Da
  • ChemSpider ID48063684

  • defined stereocentres - 9 of 9 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1225382-70-6 [RN]
2-(2H3)Méthyl(2H4)propanoate de 2-[(4aR,4bS,5S,6aS,6bS,8R,9aR,10aS,10bS)-8-cyclohexyl-5-hydroxy-4a,6a-diméthyl-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]
2-[(4aR,4bS,5S,6aS,6bS,8R,9aR,10aS,10bS)-8-Cyclohexyl-5-hydroxy-4a,6a-dimethyl-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 2-( ;2H3)methyl(2H4)propanoate [ACD/IUPAC Name]
2-[(4aR,4bS,5S,6aS,6bS,8R,9aR,10aS,10bS)-8-Cyclohexyl-5-hydroxy-4a,6a-dimethyl-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-2-( ;2H3)methyl(2H4)propanoat [German] [ACD/IUPAC Name]
Ciclesonide-d7
Propanoic-2,3,3,3-d4 acid, 2-(methyl-d3)-, 2-[(4aR,4bS,5S,6aS,6bS,8R,9aR,10aS,10bS)-8-cyclohexyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-4a,6a-dimethyl-2-oxo-6bH-naphth[2',1':4,5] indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl ester [ACD/Index Name]
2-[(4bS,5S,6aS,6bS,8R,9aR,10aS,10bS)-8-Cyclohexyl-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 2-(2H3)methyl(2H4)propanoate
MFCD00866004 [MDL number]

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

126544-47-6 [DBID] [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 665.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.6 mmHg at 25°C
    Enthalpy of Vaporization: 111.9±6.0 kJ/mol
    Flash Point: 210.0±25.0 °C
    Index of Refraction: 1.576
    Molar Refractivity: 144.5±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 6.13
    ACD/LogD (pH 5.5): 5.46
    ACD/BCF (pH 5.5): 8247.96
    ACD/KOC (pH 5.5): 22126.42
    ACD/LogD (pH 7.4): 5.46
    ACD/BCF (pH 7.4): 8247.96
    ACD/KOC (pH 7.4): 22126.42
    Polar Surface Area: 99 Å2
    Polarizability: 57.3±0.5 10-24cm3
    Surface Tension: 51.9±5.0 dyne/cm
    Molar Volume: 437.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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