ChemSpider 2D Image | (2S)-N-[(2S)-1-Amino-3-hydroxy-1-oxo-2-propanyl]-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]-2-piperidinecarboxamide | C26H39N3O7

(2S)-N-[(2S)-1-Amino-3-hydroxy-1-oxo-2-propanyl]-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]-2-piperidinecarboxamide

  • Molecular FormulaC26H39N3O7
  • Average mass505.604 Da
  • Monoisotopic mass505.278809 Da
  • ChemSpider ID58913180

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-N-[(2S)-1-Amino-3-hydroxy-1-oxo-2-propanyl]-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]-2-piperidincarboxamid [German] [ACD/IUPAC Name]
(2S)-N-[(2S)-1-Amino-3-hydroxy-1-oxo-2-propanyl]-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]-2-piperidinecarboxamide [ACD/IUPAC Name]
(2S)-N-[(2S)-1-Amino-3-hydroxy-1-oxo-2-propanyl]-1-[(2S)-2-cyclohexyl-2-(3,4,5-triméthoxyphényl)acétyl]-2-pipéridinecarboxamide [French] [ACD/IUPAC Name]
2-Piperidinecarboxamide, N-[(1S)-2-amino-1-(hydroxymethyl)-2-oxoethyl]-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]-, (2S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 784.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 428.0±32.9 °C
Index of Refraction: 1.558
Molar Refractivity: 133.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 14.08
ACD/KOC (pH 5.5): 231.11
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 14.08
ACD/KOC (pH 7.4): 231.11
Polar Surface Area: 140 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 413.0±3.0 cm3

Click to predict properties on the Chemicalize site


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