ChemSpider 2D Image | (3S)-3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2,6-(3,4,4,5,5-~2~H_5_)piperidinedione | C13H8D5N3O3

(3S)-3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2,6-(3,4,4,5,5-2H5)piperidinedione

  • Molecular FormulaC13H8D5N3O3
  • Average mass264.291 Da
  • Monoisotopic mass264.127075 Da
  • ChemSpider ID81367536

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3S)-3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2,6-(3,4,4,5,5-2H5)piperidindion [German] [ACD/IUPAC Name]
(3S)-3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2,6-(3,4,4,5,5-2H5)piperidinedione [ACD/IUPAC Name]
(3S)-3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2,6-(3,4,4,5,5-2H5)pipéridinedione [French] [ACD/IUPAC Name]
2,6-Piperidinedione-3,3,4,4,5-d5, 5-(4-amino-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-, (5S)- [ACD/Index Name]
1227162-42-6 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 614.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.1±31.5 °C
Index of Refraction: 1.672
Molar Refractivity: 66.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.39
ACD/LogD (pH 5.5): -0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.98
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.00
Polar Surface Area: 93 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 73.3±3.0 dyne/cm
Molar Volume: 177.5±3.0 cm3

Click to predict properties on the Chemicalize site


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