ChemSpider 2D Image | (4aR,4bS,5S,6aS,6bS,9aS,10aS,10bS,12S)-12-Fluoro-6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one | C24H33FO6

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

  • Molecular FormulaC24H33FO6
  • Average mass436.514 Da
  • Monoisotopic mass436.226105 Da
  • ChemSpider ID29789908

  • 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,9aS,10aS,10bS,12S)-12-Fluor-6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-on [German] [ACD/IUPAC Name]
(4aR,4bS,5S,6aS,6bS,9aS,10aS,10bS,12S)-12-Fluoro-5-hydroxy-6b-(2-hydroxyacétyl)-4a,6a,8,8-tétraméthyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tétradécahydro-2H-naphto[2',1':4,5]indéno[1,2-d][1,3]dioxo l-2-one [French] [ACD/IUPAC Name]
(4aR,4bS,5S,6aS,6bS,9aS,10aS,10bS,12S)-12-Fluoro-6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-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, 12-fluoro-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-5-hydroxy-6b-(2-hydroxyacetyl)-4a,6a,8,8-tetramethyl-, (4aR,4bS,5S,6aS,6bS,9aS,10aS ,10bS,12S)- [ACD/Index Name]
(2S,6aR,6bS,7S,8aS,8bS,11aS,12aS,12bS)-2-fluoro-7-hydroxy-8b-(2-hydroxyacetyl)-6a,8a,10,10-tetramethyl-1,2,5,6,6a,6b,7,8,8a,8b,11a,12,12a,12b-tetradecahydro-4H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4-one
(6a,11b,16a)-6-Fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregn-4-ene-3,20-dione
6a-Fluoro-11b,21-dihydroxy-16a,17a-(isopropylidenedioxy)pregn-4-ene-3,20-dione
6a-Fluoro-16a-hydroxyhydrocortisone 16,17-acetonide
Flurandrenolide [USP]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 578.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.4±6.0 kJ/mol
Flash Point: 303.8±30.1 °C
Index of Refraction: 1.573
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: 2.05
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.49
ACD/KOC (pH 5.5): 401.79
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.49
ACD/KOC (pH 7.4): 401.79
Polar Surface Area: 93 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 332.3±5.0 cm3

Click to predict properties on the Chemicalize site


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