ChemSpider 2D Image | (2S)-2-Ammonio-5-[(4-ammoniobutyl)amino]-5-oxopentanoate | C9H20N3O3

(2S)-2-Ammonio-5-[(4-ammoniobutyl)amino]-5-oxopentanoate

  • Molecular FormulaC9H20N3O3
  • Average mass218.273 Da
  • Monoisotopic mass218.149918 Da
  • ChemSpider ID26331331

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Ammonio-5-[(4-ammoniobutyl)amino]-5-oxopentanoat [German] [ACD/IUPAC Name]
(2S)-2-Ammonio-5-[(4-ammoniobutyl)amino]-5-oxopentanoate [ACD/IUPAC Name]
(2S)-2-Ammonio-5-[(4-ammoniobutyl)amino]-5-oxopentanoate [French] [ACD/IUPAC Name]
L-Glutamine, N-(4-aminobutyl)-, inner salt, conjugate acid [ACD/Index Name]
(2S)-2-azaniumyl-5-[(4-azaniumylbutyl)amino]-5-oxopentanoate
γ-L-Glutamylputrescine
γ-L-glutamylputrescinium(1+)
γ-L-glutamylputrescinium(1+)amma-L-glutamylputrescine

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

Density:
Boiling Point: 498.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.9±6.0 kJ/mol
Flash Point: 255.2±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.61
ACD/LogD (pH 5.5): -4.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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