ChemSpider 2D Image | (4aR,4bS,6aS,6bS,8R,9aR,10aS,10bR)-8-[4-(~18~F)Fluorophenyl]-6b-glycoloyl-6a,8-dimethyl-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 | C28H3318FO5

(4aR,4bS,6aS,6bS,8R,9aR,10aS,10bR)-8-[4-(18F)Fluorophenyl]-6b-glycoloyl-6a,8-dimethyl-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 FormulaC28H3318FO5
  • Average mass467.560 Da
  • Monoisotopic mass467.233734 Da
  • ChemSpider ID396295
  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(4aR,4bS,6aS,6bS,8R,9aR,10aS,10bR)-8-[4-(18F)Fluorophényl]-6b-(2-hydroxyacétyl)-6a,8-diméthyl-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]dioxol-2-on e [French] [ACD/IUPAC Name]
(4aR,4bS,6aS,6bS,8R,9aR,10aS,10bR)-8-[4-(18F)Fluorophenyl]-6b-glycoloyl-6a,8-dimethyl-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]
(4aR,4bS,6aS,6bS,8R,9aR,10aS,10bR)-8-[4-(18F)Fluorphenyl]-6b-glycoloyl-6a,8-dimethyl-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]
2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 8-[4-(fluoro-18F)phenyl]-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-6b-(2-hydroxyacetyl)-6a,8-dimethyl-, (4aR,4bS,6aS,6bS,8R,9aR,10aS, 10bR)- [ACD/Index Name]

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

MOLI000235 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 123.4±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 359.8±5.0 cm3

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