ChemSpider 2D Image | [(2S)-2-[(1R)-1-Amino-2-hydroxyethyl]-4-(1H-imidazol-5-ylmethyl)-5-oxo-2,5-dihydro-1H-imidazol-1-yl]acetic acid | C11H15N5O4

[(2S)-2-[(1R)-1-Amino-2-hydroxyethyl]-4-(1H-imidazol-5-ylmethyl)-5-oxo-2,5-dihydro-1H-imidazol-1-yl]acetic acid

  • Molecular FormulaC11H15N5O4
  • Average mass281.268 Da
  • Monoisotopic mass281.112000 Da
  • ChemSpider ID25057030
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

[(2S)-2-[(1R)-1-Amino-2-hydroxyethyl]-4-(1H-imidazol-5-ylmethyl)-5-oxo-2,5-dihydro-1H-imidazol-1-yl]acetic acid [ACD/IUPAC Name]
[(2S)-2-[(1R)-1-Amino-2-hydroxyethyl]-4-(1H-imidazol-5-ylmethyl)-5-oxo-2,5-dihydro-1H-imidazol-1-yl]essigsäure [German] [ACD/IUPAC Name]
1H-Imidazole-1-acetic acid, 2-[(1R)-1-amino-2-hydroxyethyl]-2,5-dihydro-4-(1H-imidazol-5-ylmethyl)-5-oxo-, (2S)- [ACD/Index Name]
Acide [(2S)-2-[(1R)-1-amino-2-hydroxyéthyl]-4-(1H-imidazol-5-ylméthyl)-5-oxo-2,5-dihydro-1H-imidazol-1-yl]acétique [French] [ACD/IUPAC Name]
4-Imidazolmethylene-5-Imidazolone Chromophore

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

Density: 1.7±0.0 g/cm3
Boiling Point: 697.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 107.2±0.0 kJ/mol
Flash Point: 375.4±0.0 °C
Index of Refraction: 1.749
Molar Refractivity: 66.6±0.0 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 26.4±0.0 10-24cm3
Surface Tension: 82.3±0.0 dyne/cm
Molar Volume: 163.6±0.0 cm3

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