ChemSpider 2D Image | namalide | C31H41N5O6

namalide

  • Molecular FormulaC31H41N5O6
  • Average mass579.687 Da
  • Monoisotopic mass579.305664 Da
  • ChemSpider ID28184992
  • defined stereocentres - 5 of 5 defined stereocentres


More details:



Featured data source



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

L-Phenylalanine, N-[[[(3S,6S,9R)-6-[(1S)-1-methylpropyl]-2,5,8-trioxo-3-(phenylmethyl)-1,4,7-triazacyclotridec-9-yl]amino]carbonyl]- [ACD/Index Name]
N-({(3S,6S,9R)-3-Benzyl-6-[(2S)-2-butanyl]-2,5,8-trioxo-1,4,7-triazacyclotridecan-9-yl}carbamoyl)-L-phenylalanin [German] [ACD/IUPAC Name]
N-({(3S,6S,9R)-3-Benzyl-6-[(2S)-2-butanyl]-2,5,8-trioxo-1,4,7-triazacyclotridecan-9-yl}carbamoyl)-L-phenylalanine [ACD/IUPAC Name]
N-({(3S,6S,9R)-3-Benzyl-6-[(2S)-2-butanyl]-2,5,8-trioxo-1,4,7-triazacyclotridécan-9-yl}carbamoyl)-L-phénylalanine [French] [ACD/IUPAC Name]
namalide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 950.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.0±3.0 kJ/mol
Flash Point: 528.9±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 157.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.75
ACD/LogD (pH 7.4): -1.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 461.7±5.0 cm3

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