ChemSpider 2D Image | N~5~-(N,N-Dimethylcarbamimidoyl)-D-(3,3,4,4,5,5-~2~H_6_)ornithine | C8H12D6N4O2

N5-(N,N-Dimethylcarbamimidoyl)-D-(3,3,4,4,5,5-2H6)ornithine

  • Molecular FormulaC8H12D6N4O2
  • Average mass208.291 Da
  • Monoisotopic mass208.180634 Da
  • ChemSpider ID111314038

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

D-Ornithine-3,3,4,4,5,5-d6, N5-[(dimethylamino)iminomethyl]- [ACD/Index Name]
N5-(N,N-Dimethylcarbamimidoyl)-D-(3,3,4,4,5,5-2H6)ornithin [German] [ACD/IUPAC Name]
N5-(N,N-Dimethylcarbamimidoyl)-D-(3,3,4,4,5,5-2H6)ornithine [ACD/IUPAC Name]
N5-(N,N-Diméthylcarbamimidoyl)-D-(3,3,4,4,5,5-2H6)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: 340.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 64.2±6.0 kJ/mol
Flash Point: 159.9±30.7 °C
Index of Refraction: 1.545
Molar Refractivity: 51.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.48
ACD/LogD (pH 5.5): -4.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 163.3±7.0 cm3

Click to predict properties on the Chemicalize site


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