ChemSpider 2D Image | (2R)-2-{[(1S)-4-{[Ammonio(imino)methyl]amino}-1-carboxylatobutyl]ammonio}pentanedioate | C11H19N4O6

(2R)-2-{[(1S)-4-{[Ammonio(imino)methyl]amino}-1-carboxylatobutyl]ammonio}pentanedioate

  • Molecular FormulaC11H19N4O6
  • Average mass303.292 Da
  • Monoisotopic mass303.131012 Da
  • ChemSpider ID26331024

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-{[(1S)-4-{[Ammonio(imino)methyl]amino}-1-carboxylatobutyl]ammonio}pentandioat [German] [ACD/IUPAC Name]
(2R)-2-{[(1S)-4-{[Ammonio(imino)methyl]amino}-1-carboxylatobutyl]ammonio}pentanedioate [ACD/IUPAC Name]
(2R)-2-{[(1S)-4-{[Ammonio(imino)méthyl]amino}-1-carboxylatobutyl]ammonio}pentanedioate [French] [ACD/IUPAC Name]
D-Glutamic acid, N-[(1S)-4-[(aminoiminomethyl)amino]-1-carboxybutyl]-, bis(inner salt), ion(1-) [ACD/Index Name]
(2R)-2-{[(1S)-4-{[amino(iminio)methyl]amino}-1-carboxylatobutyl]azaniumyl}pentanedioate
D-nopalinate
D-nopalinate anion
D-nopalinate(1-)
D-Nopaline
  • Miscellaneous

    • Chemical Class:

      Conjugate base of D-nopaline in which the three carboxy groups are anionic and the secondary amino and guanidino groups are cationic; major species at pH 7.3. ChEBI CHEBI:58074

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

Density:
Boiling Point: 594.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 96.7±6.0 kJ/mol
Flash Point: 313.2±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -2.57
ACD/LogD (pH 5.5): -5.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 201 Å2
Polarizability:
Surface Tension:
Molar Volume:

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