ChemSpider 2D Image | N~2~-[Bis(2-amino-2-oxoethyl)carbamoyl]-D-asparagine | C9H15N5O6

N2-[Bis(2-amino-2-oxoethyl)carbamoyl]-D-asparagine

  • Molecular FormulaC9H15N5O6
  • Average mass289.245 Da
  • Monoisotopic mass289.102234 Da
  • ChemSpider ID55876519

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Asparagine, N2-[[bis(2-amino-2-oxoethyl)amino]carbonyl]- [ACD/Index Name]
N2-[Bis(2-amino-2-oxoethyl)carbamoyl]-D-asparagin [German] [ACD/IUPAC Name]
N2-[Bis(2-amino-2-oxoethyl)carbamoyl]-D-asparagine [ACD/IUPAC Name]
N2-[Bis(2-amino-2-oxoéthyl)carbamoyl]-D-asparagine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 915.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.4±6.0 kJ/mol
Flash Point: 507.6±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 63.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -3.13
ACD/LogD (pH 5.5): -4.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 85.3±3.0 dyne/cm
Molar Volume: 187.7±3.0 cm3

Click to predict properties on the Chemicalize site


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