ChemSpider 2D Image | L-Alanyl-N~5~-({(2S,3R)-3-[(2S)-2-butanyl]-4-oxo-2-oxetanyl}carbonyl)-L-ornithine | C16H27N3O6

L-Alanyl-N5-({(2S,3R)-3-[(2S)-2-butanyl]-4-oxo-2-oxetanyl}carbonyl)-L-ornithine

  • Molecular FormulaC16H27N3O6
  • Average mass357.402 Da
  • Monoisotopic mass357.189972 Da
  • ChemSpider ID59701279

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Alanyl-N5-({(2S,3R)-3-[(2S)-2-butanyl]-4-oxo-2-oxetanyl}carbonyl)-L-ornithin [German] [ACD/IUPAC Name]
L-Alanyl-N5-({(2S,3R)-3-[(2S)-2-butanyl]-4-oxo-2-oxetanyl}carbonyl)-L-ornithine [ACD/IUPAC Name]
L-Alanyl-N5-({(2S,3R)-3-[(2S)-2-butanyl]-4-oxo-2-oxétanyl}carbonyl)-L-ornithine [French] [ACD/IUPAC Name]
L-Ornithine, L-alanyl-N5-[[(2S,3R)-3-[(1S)-1-methylpropyl]-4-oxo-2-oxetanyl]carbonyl]- [ACD/Index Name]
belactosin C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 700.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 111.7±6.0 kJ/mol
Flash Point: 377.4±32.9 °C
Index of Refraction: 1.523
Molar Refractivity: 87.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -1.43
ACD/LogD (pH 5.5): -3.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 287.7±3.0 cm3

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