ChemSpider 2D Image | (2E,6E)-8-{2-[(1S,2R)-1-Carboxy-2-methylbutyl]-4,6-dihydroxy-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-2,6-dimethyl-2,6-octadienoic acid | C24H31NO7

(2E,6E)-8-{2-[(1S,2R)-1-Carboxy-2-methylbutyl]-4,6-dihydroxy-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-2,6-dimethyl-2,6-octadienoic acid

  • Molecular FormulaC24H31NO7
  • Average mass445.505 Da
  • Monoisotopic mass445.210052 Da
  • ChemSpider ID78437943

  • 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

(2E,6E)-8-{2-[(1S,2R)-1-Carboxy-2-methylbutyl]-4,6-dihydroxy-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-2,6-dimethyl-2,6-octadienoic acid [ACD/IUPAC Name]
(2E,6E)-8-{2-[(1S,2R)-1-Carboxy-2-methylbutyl]-4,6-dihydroxy-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-2,6-dimethyl-2,6-octadiensäure [German] [ACD/IUPAC Name]
2H-Isoindole-2-acetic acid, 5-[(2E,6E)-7-carboxy-3-methyl-2,6-octadien-1-yl]-1,3-dihydro-4,6-dihydroxy-α-[(1R)-1-methylpropyl]-1-oxo-, (αS)- [ACD/Index Name]
Acide (2E,6E)-8-{2-[(1S,2R)-1-carboxy-2-méthylbutyl]-4,6-dihydroxy-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-2,6-diméthyl-2,6-octadiénoïque [French] [ACD/IUPAC Name]
Erinacerin F

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

Density: 1.3±0.1 g/cm3
Boiling Point: 753.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.1±3.0 kJ/mol
Flash Point: 409.2±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 118.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.31
ACD/LogD (pH 7.4): -1.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 345.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement