ChemSpider 2D Image | (2R,3S)-3-(Benzoyloxy)-8-(~11~C)methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid | C1511CH19NO4

(2R,3S)-3-(Benzoyloxy)-8-(11C)methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid

  • Molecular FormulaC1511CH19NO4
  • Average mass288.327 Da
  • Monoisotopic mass288.142853 Da
  • ChemSpider ID396276
  • defined stereocentres - 2 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(2R,3S)-3-(Benzoyloxy)-8-(11C)methyl-8-azabicyclo[3.2.1]octan-2-carbonsäure [German] [ACD/IUPAC Name]
(2R,3S)-3-(Benzoyloxy)-8-(11C)methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-(methyl-11C)-, (2R,3S)- [ACD/Index Name]
Acide (2R,3S)-3-(benzoyloxy)-8-(11C)méthyl-8-azabicyclo[3.2.1]octane-2-carboxylique [French] [ACD/IUPAC Name]

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

MOLI000214 [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: 1.599
Molar Refractivity: 76.3±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: 30.2±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 223.1±5.0 cm3

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