ChemSpider 2D Image | (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-12-Fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxole-6b-carboxylic a cid | C23H31FO6

(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-12-Fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxole-6b-carboxylic a cid

  • Molecular FormulaC23H31FO6
  • Average mass422.487 Da
  • Monoisotopic mass422.210480 Da
  • ChemSpider ID82827096

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-12-Fluor-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-carbonsäure [German] [ACD/IUPAC Name]
(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-12-Fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxole-6b-carboxylic a cid [ACD/IUPAC Name]
6bH-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxole-6b-carboxylic acid, 12-fluoro-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-, (4aR,4bS,5S,6aS,6bS,9aR,10aS, 10bS)- [ACD/Index Name]
Acide (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-12-fluoro-5-hydroxy-4a,6a,8,8-tétraméthyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tétradécahydro-6bH-naphto[2',1':4,5]indéno[1,2-d][1,3]dioxole-6b-carboxy lique [French] [ACD/IUPAC Name]
75578-60-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 576.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.1±6.0 kJ/mol
Flash Point: 302.2±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 104.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.14
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 316.2±5.0 cm3

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