ChemSpider 2D Image | (2S)-4-{[Bis(2-amino-2-oxoethyl)carbamoyl]amino}-2-hydroxybutanoic acid | C9H16N4O6

(2S)-4-{[Bis(2-amino-2-oxoethyl)carbamoyl]amino}-2-hydroxybutanoic acid

  • Molecular FormulaC9H16N4O6
  • Average mass276.246 Da
  • Monoisotopic mass276.106995 Da
  • ChemSpider ID55889922

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-{[Bis(2-amino-2-oxoethyl)carbamoyl]amino}-2-hydroxybutanoic acid [ACD/IUPAC Name]
(2S)-4-{[Bis(2-amino-2-oxoethyl)carbamoyl]amino}-2-hydroxybutansäure [German] [ACD/IUPAC Name]
Acide (2S)-4-{[bis(2-amino-2-oxoéthyl)carbamoyl]amino}-2-hydroxybutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[[bis(2-amino-2-oxoethyl)amino]carbonyl]amino]-2-hydroxy-, (2S)- [ACD/Index 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: 842.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.2±6.0 kJ/mol
Flash Point: 463.0±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 61.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.68
ACD/LogD (pH 5.5): -4.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 80.9±3.0 dyne/cm
Molar Volume: 184.4±3.0 cm3

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