ChemSpider 2D Image | [(4Z)-2-[(1S)-1-Amino-3-(methylsulfanyl)propyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid | C16H19N3O4S

[(4Z)-2-[(1S)-1-Amino-3-(methylsulfanyl)propyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

  • Molecular FormulaC16H19N3O4S
  • Average mass349.405 Da
  • Monoisotopic mass349.110000 Da
  • ChemSpider ID25056841

  • 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-[(1S)-1-Amino-3-(methylsulfanyl)propyl]-4-(4-hydroxybenzyliden)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]essigsäure [German] [ACD/IUPAC Name]
[(4Z)-2-[(1S)-1-Amino-3-(methylsulfanyl)propyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid [ACD/IUPAC Name]
1H-Imidazole-1-acetic acid, 2-[(1S)-1-amino-3-(methylthio)propyl]-4,5-dihydro-4-[(4-hydroxyphenyl)methylene]-5-oxo-, (4Z)- [ACD/Index Name]
Acide [(4Z)-2-[(1S)-1-amino-3-(méthylsulfanyl)propyl]-4-(4-hydroxybenzylidène)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acétique [French] [ACD/IUPAC Name]
Chromophore (Met-Tyr-Gly)

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

Density: 1.4±0.0 g/cm3
Boiling Point: 588.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 92.4±0.0 kJ/mol
Flash Point: 309.6±0.0 °C
Index of Refraction: 1.656
Molar Refractivity: 91.1±0.0 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.14
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: 142 Å2
Polarizability: 36.1±0.0 10-24cm3
Surface Tension: 59.1±0.0 dyne/cm
Molar Volume: 248.2±0.0 cm3

Click to predict properties on the Chemicalize site


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