ChemSpider 2D Image | (2S)-2-{2-[(2-Aminoethyl)amino]-2-oxoethyl}-2-hydroxysuccinic acid | C8H14N2O6

(2S)-2-{2-[(2-Aminoethyl)amino]-2-oxoethyl}-2-hydroxysuccinic acid

  • Molecular FormulaC8H14N2O6
  • Average mass234.207 Da
  • Monoisotopic mass234.085190 Da
  • ChemSpider ID26329336

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{2-[(2-Aminoethyl)amino]-2-oxoethyl}-2-hydroxybernsteinsäure [German] [ACD/IUPAC Name]
(2s)-2-{2-[(2-Aminoethyl)amino]-2-Oxoethyl}-2-Hydroxybutanedioic Acid
(2S)-2-{2-[(2-Aminoethyl)amino]-2-oxoethyl}-2-hydroxysuccinic acid [ACD/IUPAC Name]
Acide (2S)-2-{2-[(2-aminoéthyl)amino]-2-oxoéthyl}-2-hydroxysuccinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[2-[(2-aminoethyl)amino]-2-oxoethyl]-2-hydroxy-, (2S)- [ACD/Index Name]
X3J

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

Density: 1.5±0.1 g/cm3
Boiling Point: 549.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.3±6.0 kJ/mol
Flash Point: 285.9±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 50.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -2.05
ACD/LogD (pH 5.5): -5.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 78.9±3.0 dyne/cm
Molar Volume: 157.0±3.0 cm3

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