ChemSpider 2D Image | L-enduracididine | C6H12N4O2

L-enduracididine

  • Molecular FormulaC6H12N4O2
  • Average mass172.185 Da
  • Monoisotopic mass172.096024 Da
  • ChemSpider ID24775830
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(S)-2-amino-3-((R)-2-iminoimidazolidin-4-yl)propanoic acid
3-[(4R)-2-Amino-4,5-dihydro-1H-imidazol-4-yl]-L-alanin [German] [ACD/IUPAC Name]
3-[(4R)-2-Amino-4,5-dihydro-1H-imidazol-4-yl]-L-alanine [ACD/IUPAC Name]
3-[(4R)-2-Amino-4,5-dihydro-1H-imidazol-4-yl]-L-alanine [French] [ACD/IUPAC Name]
4-Imidazolidinepropanoic acid, α-amino-2-imino-, (αS,4R)- [ACD/Index Name]
L-enduracididine
1628698-33-8 [RN]
3-[(4R)-2-iminoimidazolidin-4-yl]-L-alanine
  • Miscellaneous
    • Chemical Class:

      An <stereo>L</stereo>-<locant>alpha</locant>-amino acid that is <stereo>L</stereo>-alanine in which one of the methyl hydrogens is substituted by a 2-iminoimidazolidin-4-yl group. ChEBI CHEBI:73969

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 338.4±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 63.9±6.0 kJ/mol
Flash Point: 158.5±29.6 °C
Index of Refraction: 1.733
Molar Refractivity: 39.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.84
ACD/LogD (pH 5.5): -4.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 111 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 83.2±7.0 dyne/cm
Molar Volume: 98.1±7.0 cm3

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