ChemSpider 2D Image | (2S)-1-[(2S)-2-(3,4,5-Trimethoxyphenyl)butanoyl]-2-piperidinecarboxylic acid | C19H27NO6

(2S)-1-[(2S)-2-(3,4,5-Trimethoxyphenyl)butanoyl]-2-piperidinecarboxylic acid

  • Molecular FormulaC19H27NO6
  • Average mass365.421 Da
  • Monoisotopic mass365.183838 Da
  • ChemSpider ID25084416
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S)-1-[(2S)-2-(3,4,5-Trimethoxyphenyl)butanoyl]-2-piperidincarbonsäure [German] [ACD/IUPAC Name]
(2S)-1-[(2S)-2-(3,4,5-Trimethoxyphenyl)butanoyl]-2-piperidinecarboxylic acid [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 1-[(2S)-1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-, (2S)- [ACD/Index Name]
Acide (2S)-1-[(2S)-2-(3,4,5-triméthoxyphényl)butanoyl]-2-pipéridinecarboxylique [French] [ACD/IUPAC Name]
(S)-1-((S)-2-(3,4,5-trimethoxyphenyl)butanoyl)piperidine-2-carboxylic acid
[S-(R*,R*)]-1-[1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-2-piperdinecarboxylic acid
[S-(R*,R*)]-1-[1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-2-piperdinecarboxylicacid
195202-09-6 [RN]
MFCD23698714

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 557.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 291.2±30.1 °C
Index of Refraction: 1.535
Molar Refractivity: 95.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.09
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 307.5±3.0 cm3

Click to predict properties on the Chemicalize site






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