ChemSpider 2D Image | N~5~-Acetyl-N~5~-[(6,7-dimethoxy-2-oxo-2H-chromen-4-yl)methyl]-N~2~-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithine | C34H34N2O9

N5-Acetyl-N5-[(6,7-dimethoxy-2-oxo-2H-chromen-4-yl)methyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithine

  • Molecular FormulaC34H34N2O9
  • Average mass614.642 Da
  • Monoisotopic mass614.226440 Da
  • ChemSpider ID57425452

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Ornithine, N5-acetyl-N5-[(6,7-dimethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- [ACD/Index Name]
N5-Acetyl-N5-[(6,7-dimethoxy-2-oxo-2H-chromen-4-yl)methyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithin [German] [ACD/IUPAC Name]
N5-Acetyl-N5-[(6,7-dimethoxy-2-oxo-2H-chromen-4-yl)methyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithine [ACD/IUPAC Name]
N5-Acétyl-N5-[(6,7-diméthoxy-2-oxo-2H-chromén-4-yl)méthyl]-N2-[(9H-fluorén-9-ylméthoxy)carbonyl]-L-ornithine [French] [ACD/IUPAC Name]
Fmoc-Orn(DMOAcC)-OH
N-α-(9-Fluorenylmethoxycarbonyl)-N-δ-(6.7-dimethoxycoumarin-4-yl)methyl-N-δ-acetyl-L-ornithine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 862.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.3±3.0 kJ/mol
Flash Point: 475.4±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 162.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 12.49
ACD/KOC (pH 5.5): 54.88
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.82
Polar Surface Area: 141 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 468.7±3.0 cm3

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