ChemSpider 2D Image | (1R)-1-[3-(2-Aminoethoxy)phenyl]-3-(3,4-dimethoxyphenyl)propyl (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]-2-piperidinecarboxylate | C38H50N2O9

(1R)-1-[3-(2-Aminoethoxy)phenyl]-3-(3,4-dimethoxyphenyl)propyl (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]-2-piperidinecarboxylate

  • Molecular FormulaC38H50N2O9
  • Average mass678.812 Da
  • Monoisotopic mass678.351624 Da
  • ChemSpider ID96437078

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R)-1-[3-(2-Aminoethoxy)phenyl]-3-(3,4-dimethoxyphenyl)propyl (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]-2-piperidinecarboxylate [ACD/IUPAC Name]
(1R)-1-[3-(2-Aminoethoxy)phenyl]-3-(3,4-dimethoxyphenyl)propyl-(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]-2-piperidincarboxylat [German] [ACD/IUPAC Name]
(2S)-1-[(2S)-2-(3,4,5-Triméthoxyphényl)butanoyl]-2-pipéridinecarboxylate de (1R)-1-[3-(2-aminoéthoxy)phényl]-3-(3,4-diméthoxyphényl)propyle [French] [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 1-[(2S)-1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-, (1R)-1-[3-(2-aminoethoxy)phenyl]-3-(3,4-dimethoxyphenyl)propyl ester, (2S)- [ACD/Index Name]
[(1R)-1-[3-(2-aminoethoxy)phenyl]-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
2127390-15-0 [RN]
AP1867-3-(aminoethoxy)
MFCD32215344

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

Density: 1.2±0.1 g/cm3
Boiling Point: 793.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 433.6±32.9 °C
Index of Refraction: 1.558
Molar Refractivity: 187.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 2.63
ACD/KOC (pH 5.5): 11.59
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 110.45
ACD/KOC (pH 7.4): 487.41
Polar Surface Area: 128 Å2
Polarizability: 74.1±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 580.2±3.0 cm3

Click to predict properties on the Chemicalize site


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