ChemSpider 2D Image | (2E,6E)-8-{2-[(1S)-1-Carboxy-2-methylpropyl]-4,6-dihydroxy-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-2,6-dimethyl-2,6-octadienoic acid | C23H29NO7

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

  • Molecular FormulaC23H29NO7
  • Average mass431.479 Da
  • Monoisotopic mass431.194397 Da
  • ChemSpider ID58989755

  • 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

(2E,6E)-8-{2-[(1S)-1-Carboxy-2-methylpropyl]-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)-1-Carboxy-2-methylpropyl]-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-(1-methylethyl)-1-oxo-, (αS)- [ACD/Index Name]
Acide (2E,6E)-8-{2-[(1S)-1-carboxy-2-méthylpropyl]-4,6-dihydroxy-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-2,6-diméthyl-2,6-octadiénoïque [French] [ACD/IUPAC Name]
Erinacerin E

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

Density: 1.3±0.1 g/cm3
Boiling Point: 749.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 407.2±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 113.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 329.4±3.0 cm3

Click to predict properties on the Chemicalize site


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