ChemSpider 2D Image | (4aR,4bR,6aS,6bS,9aS,10aS,10bR,12S)-12-Fluoro-6b-glycoloyl-4a,6a,8,8-tetramethyl-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 | C24H31FO5

(4aR,4bR,6aS,6bS,9aS,10aS,10bR,12S)-12-Fluoro-6b-glycoloyl-4a,6a,8,8-tetramethyl-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 FormulaC24H31FO5
  • Average mass418.498 Da
  • Monoisotopic mass418.215546 Da
  • ChemSpider ID62668323

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4aR,4bR,6aS,6bS,9aS,10aS,10bR,12S)-12-Fluor-6b-glycoloyl-4a,6a,8,8-tetramethyl-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,4bR,6aS,6bS,9aS,10aS,10bR,12S)-12-Fluoro-6b-(2-hydroxyacétyl)-4a,6a,8,8-tétraméthyl-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,4bR,6aS,6bS,9aS,10aS,10bR,12S)-12-Fluoro-6b-glycoloyl-4a,6a,8,8-tetramethyl-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, 12-fluoro-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-6b-(2-hydroxyacetyl)-4a,6a,8,8-tetramethyl-, (4aR,4bR,6aS,6bS,9aS,10aS,10bR,12S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 543.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.5±6.0 kJ/mol
Flash Point: 282.5±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 107.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 204.73
ACD/KOC (pH 5.5): 1570.20
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 204.73
ACD/KOC (pH 7.4): 1570.20
Polar Surface Area: 73 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 327.8±5.0 cm3

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