ChemSpider 2D Image | (2S)-5-{[Ammonio(imino)methyl]amino}-2-{[(1R)-1-carboxylatoethyl]amino}pentanoate | C9H17N4O4

(2S)-5-{[Ammonio(imino)methyl]amino}-2-{[(1R)-1-carboxylatoethyl]amino}pentanoate

  • Molecular FormulaC9H17N4O4
  • Average mass245.256 Da
  • Monoisotopic mass245.125534 Da
  • ChemSpider ID28533111

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-5-{[Ammonio(imino)methyl]amino}-2-{[(1R)-1-carboxylatoethyl]amino}pentanoat [German] [ACD/IUPAC Name]
(2S)-5-{[Ammonio(imino)methyl]amino}-2-{[(1R)-1-carboxylatoethyl]amino}pentanoate [ACD/IUPAC Name]
(2S)-5-{[Ammonio(imino)méthyl]amino}-2-{[(1R)-1-carboxylatoéthyl]amino}pentanoate [French] [ACD/IUPAC Name]
L-Arginine, N2-[(1R)-1-carboxyethyl]-, inner salt, ion(1-) [ACD/Index Name]
D-octopine(1-)
  • Miscellaneous

    • Chemical Class:

      An D-alpha-amino acid anion arising from deprotonation of the carboxy groups and protonation of the guanidino group of D-octopine. ChEBI CHEBI:67037

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

Density:
Boiling Point: 490.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 82.8±6.0 kJ/mol
Flash Point: 250.2±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -1.82
ACD/LogD (pH 5.5): -4.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability:
Surface Tension:
Molar Volume:

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