ChemSpider 2D Image | (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS,12S)-12-Fluoro-6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-8,8-bis[(~2~H_3_)methyl]-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]d ioxol-2-one | C24H25D6FO6

(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS,12S)-12-Fluoro-6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-8,8-bis[(2H3)methyl]-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]d ioxol-2-one

  • Molecular FormulaC24H25D6FO6
  • Average mass440.535 Da
  • Monoisotopic mass440.248138 Da
  • ChemSpider ID58784664

  • 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

(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS,12S)-12-Fluor-6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-8,8-bis[(2H3)methyl]-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]di oxol-2-on [German] [ACD/IUPAC Name]
(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS,12S)-12-Fluoro-5-hydroxy-6b-(2-hydroxyacétyl)-4a,6a-diméthyl-8,8-bis[(2H3)méthyl]-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,9aR,10aS,10bS,12S)-12-Fluoro-6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-8,8-bis[(2H3)methyl]-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]d ioxol-2-one [ACD/IUPAC Name]
2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 12-fluoro-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-6b-(2-hydroxyacetyl)-4a,6a-dimethyl-8,8-di(methyl-d3)-, (4aR,4bS,5S,6aS,6bS,9a R,10aS,10bS,12S)- [ACD/Index Name]
3385-03-3 [RN]
FLUNISOLIDE-D6

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

Density: 1.3±0.1 g/cm3
Boiling Point: 581.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 305.7±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 109.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.18
ACD/KOC (pH 5.5): 573.95
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.18
ACD/KOC (pH 7.4): 573.95
Polar Surface Area: 93 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 325.6±5.0 cm3

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