ChemSpider 2D Image | (1R,2R,4S,5S)-9-Methyl-3-oxa-9-azatricyclo[,4~]non-7-yl (2S)-3-hydroxy-2-phenyl(1-~14~C)propanoate | C1614CH21NO4

(1R,2R,4S,5S)-9-Methyl-3-oxa-9-azatricyclo[,4]non-7-yl (2S)-3-hydroxy-2-phenyl(1-14C)propanoate

  • Molecular FormulaC1614CH21NO4
  • Average mass305.345 Da
  • Monoisotopic mass305.150299 Da
  • ChemSpider ID8442566
  • defined stereocentres - 5 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,2R,4S,5S)-9-Methyl-3-oxa-9-azatricyclo[,4]non-7-yl (2S)-3-hydroxy-2-phenyl(1-14C)propanoate [ACD/IUPAC Name]
(1R,2R,4S,5S)-9-Methyl-3-oxa-9-azatricyclo[,4]non-7-yl-(2S)-3-hydroxy-2-phenyl(1-14C)propanoat [German] [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-phényl(1-14C)propanoate de (1R,2R,4S,5S)-9-méthyl-3-oxa-9-azatricyclo[,4]non-7-yle [French] [ACD/IUPAC Name]
Benzeneacetic-carboxy-14C acid, α-(hydroxymethyl)-, (1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[,4]non-7-yl ester, (αS)- [ACD/Index Name]

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: 1.614
Molar Refractivity: 80.4±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
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: 31.9±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 231.0±5.0 cm3

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