ChemSpider 2D Image | N-{(1S)-1-Carboxy-3-[(ethanimidoylamino)oxy]propyl}aspartic acid | C10H17N3O7

N-{(1S)-1-Carboxy-3-[(ethanimidoylamino)oxy]propyl}aspartic acid

  • Molecular FormulaC10H17N3O7
  • Average mass291.258 Da
  • Monoisotopic mass291.106659 Da
  • ChemSpider ID65998465

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Acide N-{(1S)-1-carboxy-3-[(ethanimidoylamino)oxy]propyl}aspartique [French] [ACD/IUPAC Name]
Aspartic acid, N-[(1S)-1-carboxy-3-[[(1-iminoethyl)amino]oxy]propyl]- [ACD/Index Name]
N-{(1S)-1-Carboxy-3-[(ethanimidoylamino)oxy]propyl}asparaginsäure [German] [ACD/IUPAC Name]
N-{(1S)-1-Carboxy-3-[(ethanimidoylamino)oxy]propyl}aspartic acid [ACD/IUPAC Name]
Canavaninosuccinic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 503.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 84.6±6.0 kJ/mol
Flash Point: 258.5±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 63.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -4.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 62.9±7.0 dyne/cm
Molar Volume: 189.2±7.0 cm3

Click to predict properties on the Chemicalize site


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