ChemSpider 2D Image | 2-Amino-3-[4-Hydroxy-6-Oxo-3-(2-Phenyl-Cyclopropylimino)-Cyclohexa-1,4-Dienyl]-Propionic Acid | C18H20N2O4

2-Amino-3-[4-Hydroxy-6-Oxo-3-(2-Phenyl-Cyclopropylimino)-Cyclohexa-1,4-Dienyl]-Propionic Acid

  • Molecular FormulaC18H20N2O4
  • Average mass328.362 Da
  • Monoisotopic mass328.142303 Da
  • ChemSpider ID26329524

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Amino-3-[4-Hydroxy-6-Oxo-3-(2-Phenyl-Cyclopropylimino)-Cyclohexa-1,4-Dienyl]-Propionic Acid
3-[(1R,5Z)-4-Hydroxy-2-oxo-5-{[(1R,2S)-2-phenylcyclopropyl]imino}-3-cyclohexen-1-yl]-L-alanin [German] [ACD/IUPAC Name]
3-[(1R,5Z)-4-Hydroxy-2-oxo-5-{[(1R,2S)-2-phenylcyclopropyl]imino}-3-cyclohexen-1-yl]-L-alanine [ACD/IUPAC Name]
3-[(1R,5Z)-4-Hydroxy-2-oxo-5-{[(1R,2S)-2-phénylcyclopropyl]imino}-3-cyclohexén-1-yl]-L-alanine [French] [ACD/IUPAC Name]
3-Cyclohexene-1-propanoic acid, α-amino-4-hydroxy-2-oxo-5-[[(1R,2S)-2-phenylcyclopropyl]imino]-, (αS,1R,5Z)- [ACD/Index Name]
(2S)-2-amino-3-[(1R,5Z)-4-hydroxy-2-oxo-5-{[(1R,2S)-2-phenylcyclopropyl]imino}cyclohex-3-en-1-yl]propanoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 550.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 286.6±30.1 °C
Index of Refraction: 1.683
Molar Refractivity: 86.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 60.6±7.0 dyne/cm
Molar Volume: 227.4±7.0 cm3

Click to predict properties on the Chemicalize site


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