ChemSpider 2D Image | (4aR,4bS,5S,6aS,6bS,8R,9aS,10aS,10bS)-8-Cyclohexyl-6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one | C28H38O6

(4aR,4bS,5S,6aS,6bS,8R,9aS,10aS,10bS)-8-Cyclohexyl-6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one

  • Molecular FormulaC28H38O6
  • Average mass470.598 Da
  • Monoisotopic mass470.266846 Da
  • ChemSpider ID21259130
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(4aR,4bS,5S,6aS,6bS,8R,9aS,10aS,10bS)-8-Cyclohexyl-5-hydroxy-6b-(2-hydroxyacétyl)-4a,6a-diméthyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodécahydro-2H-naphto[2',1':4,5]indéno[1,2-d][1,3]dioxol-2-one [French] [ACD/IUPAC Name]
(4aR,4bS,5S,6aS,6bS,8R,9aS,10aS,10bS)-8-Cyclohexyl-6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-on [German] [ACD/IUPAC Name]
(4aR,4bS,5S,6aS,6bS,8R,9aS,10aS,10bS)-8-Cyclohexyl-6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one [ACD/IUPAC Name]
2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 8-cyclohexyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-6b-(2-hydroxyacetyl)-4a,6a-dimethyl-, (4aR,4bS,5S,6aS,6bS,8R,9aS,10aS,10bS)- [ACD/Index Name]
(6AR,6bS,7S,8aS,8bS,10R,11aS,12aS,12bS)-10-cyclohexyl-7-hydroxy-8b-(2-hydroxyacetyl)-6a,8a-dimethyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4(2H)-one
161115-59-9 [RN]
Desisobutyryl Ciclesonide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 640.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.4±6.0 kJ/mol
Flash Point: 211.5±25.0 °C
Index of Refraction: 1.602
Molar Refractivity: 125.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 508.10
ACD/KOC (pH 5.5): 3009.67
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 508.09
ACD/KOC (pH 7.4): 3009.65
Polar Surface Area: 93 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 366.6±5.0 cm3

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