ChemSpider 2D Image | N~2~-(17,18,19,20,21,22-Hexaacetoxy-26-{[(1S)-1-carboxy-2-methylpropyl]amino}-26-oxohexacosanoyl)-L-ornithine | C48H81N3O18

N2-(17,18,19,20,21,22-Hexaacetoxy-26-{[(1S)-1-carboxy-2-methylpropyl]amino}-26-oxohexacosanoyl)-L-ornithine

  • Molecular FormulaC48H81N3O18
  • Average mass988.166 Da
  • Monoisotopic mass987.551514 Da
  • ChemSpider ID9357343

  • defined stereocentres - 2 of 8 defined stereocentres

More details:

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

L-Ornithine, N2-[17,18,19,20,21,22-hexakis(acetyloxy)-26-[[(1S)-1-carboxy-2-methylpropyl]amino]-1,26-dioxohexacosyl]- [ACD/Index Name]
N2-(17,18,19,20,21,22-Hexaacetoxy-26-{[(1S)-1-carboxy-2-methylpropyl]amino}-26-oxohexacosanoyl)-L-ornithin [German] [ACD/IUPAC Name]
N2-(17,18,19,20,21,22-Hexaacetoxy-26-{[(1S)-1-carboxy-2-methylpropyl]amino}-26-oxohexacosanoyl)-L-ornithine [ACD/IUPAC Name]
N2-(17,18,19,20,21,22-Hexaacétoxy-26-{[(1S)-1-carboxy-2-méthylpropyl]amino}-26-oxohexacosanoyl)-L-ornithine [French] [ACD/IUPAC 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: 1017.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.1±6.0 kJ/mol
Flash Point: 569.4±34.3 °C
Index of Refraction: 1.497
Molar Refractivity: 248.6±0.3 cm3
#H bond acceptors: 21
#H bond donors: 6
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 4
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 5.00
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 4.59
Polar Surface Area: 317 Å2
Polarizability: 98.6±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 849.9±3.0 cm3

Click to predict properties on the Chemicalize site


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