ChemSpider 2D Image | (3E)-3,5-Hexadien-1-yl (3R)-1-[N-(6-heptenoyl)-L-valyl-L-phenylalanyl]-3-piperidinecarboxylate | C33H47N3O5

(3E)-3,5-Hexadien-1-yl (3R)-1-[N-(6-heptenoyl)-L-valyl-L-phenylalanyl]-3-piperidinecarboxylate

  • Molecular FormulaC33H47N3O5
  • Average mass565.743 Da
  • Monoisotopic mass565.351563 Da
  • ChemSpider ID8706401

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3E)-3,5-Hexadien-1-yl (3R)-1-[N-(6-heptenoyl)-L-valyl-L-phenylalanyl]-3-piperidinecarboxylate [ACD/IUPAC Name]
(3E)-3,5-Hexadien-1-yl-(3R)-1-[N-(6-heptenoyl)-L-valyl-L-phenylalanyl]-3-piperidincarboxylat [German] [ACD/IUPAC Name]
(3R)-1-[N-(6-Heptenoyl)-L-valyl-L-phénylalanyl]-3-pipéridinecarboxylate de (3E)-3,5-hexadién-1-yle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[(2S)-2-[[(2S)-3-methyl-1-oxo-2-[(1-oxo-6-hepten-1-yl)amino]butyl]amino]-1-oxo-3-phenylpropyl]-, (3E)-3,5-hexadien-1-yl ester, (3R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 785.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 428.7±32.9 °C
Index of Refraction: 1.531
Molar Refractivity: 161.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5074.54
ACD/KOC (pH 5.5): 15628.43
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5074.54
ACD/KOC (pH 7.4): 15628.41
Polar Surface Area: 105 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 521.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement