ChemSpider 2D Image | Methyl L-alpha-aspartyl-N~5~-acetyl-L-ornithinate | C12H21N3O6

Methyl L-α-aspartyl-N5-acetyl-L-ornithinate

  • Molecular FormulaC12H21N3O6
  • Average mass303.312 Da
  • Monoisotopic mass303.143036 Da
  • ChemSpider ID24683298

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Ornithine, L-α-aspartyl-N5-acetyl-, methyl ester [ACD/Index Name]
L-α-Aspartyl-N5-acétyl-L-ornithinate de méthyle [French] [ACD/IUPAC Name]
Methyl L-α-aspartyl-N5-acetyl-L-ornithinate [ACD/IUPAC Name]
Methyl-L-α-asparagyl-N5-acetyl-L-ornithinat [German] [ACD/IUPAC Name]
52945-95-6 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL353057/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 618.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 100.1±6.0 kJ/mol
Flash Point: 328.0±31.5 °C
Index of Refraction: 1.507
Molar Refractivity: 71.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -1.36
ACD/LogD (pH 5.5): -3.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 241.0±3.0 cm3

Click to predict properties on the Chemicalize site


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