ChemSpider 2D Image | (2S)-Phenyl[(2R)-(2,3,3,4,4,5,5,6,6-~2~H_9_)-2-piperidinyl](~2~H)ethanoic acid | C13H7D10NO2

(2S)-Phenyl[(2R)-(2,3,3,4,4,5,5,6,6-2H9)-2-piperidinyl](2H)ethanoic acid

  • Molecular FormulaC13H7D10NO2
  • Average mass229.341 Da
  • Monoisotopic mass229.188690 Da
  • ChemSpider ID58784947

  • 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

(2S)-Phenyl[(2R)-(2,3,3,4,4,5,5,6,6-2H9)-2-piperidinyl](2H)ethanoic acid [ACD/IUPAC Name]
(2S)-Phenyl[(2R)-(2,3,3,4,4,5,5,6,6-2H9)-2-piperidinyl](2H)ethansäure [German] [ACD/IUPAC Name]
Acide (2S)-phényl[(2R)-(2,3,3,4,4,5,5,6,6-2H9)-2-pipéridinyl](2H)éthanoïque [French] [ACD/IUPAC Name]
Piperidine-2,3,3,4,4,5,5,6,6-d9-2-acetic-α-d acid, α-phenyl-, (αS,2R)- [ACD/Index Name]
1330166-48-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 367.7±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 176.2±20.9 °C
Index of Refraction: 1.554
Molar Refractivity: 61.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.14
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.14
Polar Surface Area: 49 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 192.7±3.0 cm3

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