ChemSpider 2D Image | Bis{2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-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-oxoethy l} 4,4'-methylenebis(3-methoxy-2-naphthoate) | C73H78F2O16

Bis{2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-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-oxoethy l} 4,4'-methylenebis(3-methoxy-2-naphthoate)

  • Molecular FormulaC73H78F2O16
  • Average mass1249.388 Da
  • Monoisotopic mass1248.525757 Da
  • ChemSpider ID8187217

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

259-650-0 [EINECS]
2-Naphthalenecarboxylic acid, 4,4'-methylenebis[3-methoxy-, bis[2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-fluoro-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-6bH -naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl] ester [ACD/Index Name]
4,4'-Méthylènebis(3-méthoxy-2-naphtoate) de bis{2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-fluoro-5-hydroxy-4a,6a,8,8-tétraméthyl-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]
55461-42-2 [RN]
Bis{2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-fluor-5-hydroxy-4a,6a,8,8-tetramethyl-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 }-4,4'-methylenbis(3-methoxy-2-naphthoat) [German] [ACD/IUPAC Name]
Bis{2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-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-oxoethy l} 4,4'-methylenebis(3-methoxy-2-naphthoate) [ACD/IUPAC Name]
(11β,16α)(11'β,16'α)-21,21'-[METHYLENEBIS-[(2-METHOXY-1,3-NAPHTHALENEDIYL)CARBONYLOXY]]-BIS-[9-FLUORO-11-HYDROXY-16,17-[(1-METHYLETHYLIDENE)-BIS-(OXY)]PREGNA-1,4-DIENE-3,20-DIONE
Flupamesone
Pregna-1,4-diene-3,20-dione, 21,21'-[methylenebis[(2-methoxy-1,3-naphthalenediyl)carbonyloxy]]bis[9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16α)-(11'β,16'α)-
Pregna-1,4-diene-3,20-dione,21,21'-[methylenebis[(2-methoxy-1,3-naphthalenediyl)carbonyloxy]]bis[9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(11β,16α)-(11'β,16'α)-

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

8Q5FK6P4BC [DBID]
UNII:8Q5FK6P4BC [DBID]
UNII-8Q5FK6P4BC [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 328.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 12.41
ACD/LogD (pH 5.5): 10.97
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.97
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 217 Å2
Polarizability: 130.3±0.5 10-24cm3
Surface Tension: 66.9±5.0 dyne/cm
Molar Volume: 889.6±5.0 cm3

Click to predict properties on the Chemicalize site


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