ChemSpider 2D Image | (3R)-1-Azabicyclo[2.2.2]oct-3-yl (2R,4E)-2-hydroxy-5-(~131~I)iodo-2-phenyl-4-pentenoate | C18H22131INO3

(3R)-1-Azabicyclo[2.2.2]oct-3-yl (2R,4E)-2-hydroxy-5-(131I)iodo-2-phenyl-4-pentenoate

  • Molecular FormulaC18H22131INO3
  • Average mass431.278 Da
  • Monoisotopic mass431.066101 Da
  • ChemSpider ID4575275

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R,4E)-2-Hydroxy-5-(131I)iodo-2-phényl-4-penténoate de (3R)-1-azabicyclo[2.2.2]oct-3-yle [French] [ACD/IUPAC Name]
(3R)-1-Azabicyclo[2.2.2]oct-3-yl (2R,4E)-2-hydroxy-5-(131I)iodo-2-phenyl-4-pentenoate [ACD/IUPAC Name]
(3R)-1-Azabicyclo[2.2.2]oct-3-yl-(2R,4E)-2-hydroxy-5-(131I)iod-2-phenyl-4-pentenoat [German] [ACD/IUPAC Name]
Benzeneacetic acid, α-hydroxy-α-[(2E)-3-(iodo-131I)-2-propen-1-yl]-, (3R)-1-azabicyclo[2.2.2]oct-3-yl ester, (αR)- [ACD/Index Name]

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

MOLI001027 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.646
Molar Refractivity: 98.3±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: 39.0±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 271.0±5.0 cm3

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