ChemSpider 2D Image | N-[Bis(2-amino-2-oxoethyl)carbamoyl]-D-aspartic acid | C9H14N4O7

N-[Bis(2-amino-2-oxoethyl)carbamoyl]-D-aspartic acid

  • Molecular FormulaC9H14N4O7
  • Average mass290.230 Da
  • Monoisotopic mass290.086243 Da
  • ChemSpider ID37056869
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Acide N-[bis(2-amino-2-oxoéthyl)carbamoyl]-D-aspartique [French] [ACD/IUPAC Name]
D-Aspartic acid, N-[[bis(2-amino-2-oxoethyl)amino]carbonyl]- [ACD/Index Name]
N-[Bis(2-amino-2-oxoethyl)carbamoyl]-D-asparaginsäure [German] [ACD/IUPAC Name]
N-[Bis(2-amino-2-oxoethyl)carbamoyl]-D-aspartic acid [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 768.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 121.7±6.0 kJ/mol
Flash Point: 418.7±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 61.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.30
ACD/LogD (pH 5.5): -4.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 193 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 89.4±3.0 dyne/cm
Molar Volume: 181.5±3.0 cm3

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