ChemSpider 2D Image | 2-Hydroxy-2-({(2R,4E)-4-[(2E,4E)-1-hydroxy-2,4-octadien-1-ylidene]-1-methyl-3,5-dioxo-2-pyrrolidinyl}methyl)-3-methylbutanoic acid | C19H27NO6

2-Hydroxy-2-({(2R,4E)-4-[(2E,4E)-1-hydroxy-2,4-octadien-1-ylidene]-1-methyl-3,5-dioxo-2-pyrrolidinyl}methyl)-3-methylbutanoic acid

  • Molecular FormulaC19H27NO6
  • Average mass365.421 Da
  • Monoisotopic mass365.183838 Da
  • ChemSpider ID78440107

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-Hydroxy-2-({(2R,4E)-4-[(2E,4E)-1-hydroxy-2,4-octadien-1-yliden]-1-methyl-3,5-dioxo-2-pyrrolidinyl}methyl)-3-methylbutansäure [German] [ACD/IUPAC Name]
2-Hydroxy-2-({(2R,4E)-4-[(2E,4E)-1-hydroxy-2,4-octadien-1-ylidene]-1-methyl-3,5-dioxo-2-pyrrolidinyl}methyl)-3-methylbutanoic acid [ACD/IUPAC Name]
2-Pyrrolidinepropanoic acid, α-hydroxy-4-[(2E,4E)-1-hydroxy-2,4-octadien-1-ylidene]-1-methyl-α-(1-methylethyl)-3,5-dioxo-, (2R,4E)- [ACD/Index Name]
Acide 2-hydroxy-2-({(2R,4E)-4-[(2E,4E)-1-hydroxy-2,4-octadién-1-ylidène]-1-méthyl-3,5-dioxo-2-pyrrolidinyl}méthyl)-3-méthylbutanoïque [French] [ACD/IUPAC Name]
Isoharzianic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 619.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.3±6.0 kJ/mol
Flash Point: 328.5±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 96.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.31
ACD/LogD (pH 7.4): -2.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 298.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement