Found 1 result

Search term: N[C@@H](CO)C1=N\C(=C/c2c[nH]c3ccccc23)C(=O)N1CC(O)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | [(4Z)-2-[(1R)-1-Amino-2-hydroxyethyl]-4-(1H-indol-3-ylmethylene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid | C16H16N4O4

[(4Z)-2-[(1R)-1-Amino-2-hydroxyethyl]-4-(1H-indol-3-ylmethylene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

  • Molecular FormulaC16H16N4O4
  • Average mass328.323 Da
  • Monoisotopic mass328.117157 Da
  • ChemSpider ID59051632

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(4Z)-2-[(1R)-1-Amino-2-hydroxyethyl]-4-(1H-indol-3-ylmethylen)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]essigsäure [German] [ACD/IUPAC Name]
[(4Z)-2-[(1R)-1-Amino-2-hydroxyethyl]-4-(1H-indol-3-ylmethylene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid [ACD/IUPAC Name]
1H-Imidazole-1-acetic acid, 2-[(1R)-1-amino-2-hydroxyethyl]-4,5-dihydro-4-(1H-indol-3-ylmethylene)-5-oxo-, (4Z)- [ACD/Index Name]
Acide [(4Z)-2-[(1R)-1-amino-2-hydroxyéthyl]-4-(1H-indol-3-ylméthylène)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 679.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 364.9±34.3 °C
Index of Refraction: 1.729
Molar Refractivity: 84.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -2.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 70.8±7.0 dyne/cm
Molar Volume: 210.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement