ChemSpider 2D Image | (1R,3R,6R,8S,9R,10R,12S,13S,16S,17R)-9-(~18~F)Fluoro-6,12,17-trihydroxy-16-methyl-8-(2-methyl-2-propanyl)-2,4,14,19-tetraoxahexacyclo[8.7.2.0~1,11~.0~3,7~.0~7,11~.0~13,17~]nonadecane-5,15,18-trione | C20H2318FO10

(1R,3R,6R,8S,9R,10R,12S,13S,16S,17R)-9-(18F)Fluoro-6,12,17-trihydroxy-16-methyl-8-(2-methyl-2-propanyl)-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione

  • Molecular FormulaC20H2318FO10
  • Average mass441.392 Da
  • Monoisotopic mass441.130066 Da
  • ChemSpider ID9560082

  • defined stereocentres - 10 of 12 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,3R,6R,8S,9R,10R,12S,13S,16S,17R)-9-(18F)Fluor-6,12,17-trihydroxy-16-methyl-8-(2-methyl-2-propanyl)-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecan-5,15,18-trion [German] [ACD/IUPAC Name]
(1R,3R,6R,8S,9R,10R,12S,13S,16S,17R)-9-(18F)Fluoro-6,12,17-trihydroxy-16-methyl-8-(2-methyl-2-propanyl)-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione [ACD/IUPAC Name]
(1R,3R,6R,8S,9R,10R,12S,13S,16S,17R)-9-(18F)Fluoro-6,12,17-trihydroxy-16-méthyl-8-(2-méthyl-2-propanyl)-2,4,14,19-tétraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadécane-5,15,18-trione [French] [ACD/IUPAC Name]
6H-9,4a-(Epoxymethano)-3aH,9H-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-2,6,13(1H)-trione, 11-(1,1-dimethylethyl)-10-(fluoro-18F)hexahydro-1,4b,8-trihydroxy-5-methyl-, (1R,3aR,4a 
R,4bR,5S,7aS,8S,9R,10R,11S)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 94.3±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: 37.4±0.5 10-24cm3
Surface Tension: 75.3±5.0 dyne/cm
Molar Volume: 263.6±5.0 cm3

Click to predict properties on the Chemicalize site


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