ChemSpider 2D Image | Methyl (3E)-6-[4,6-dihydroxy-2-(2-hydroxyethyl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl]-4-methyl-3-hexenoate | C18H23NO6

Methyl (3E)-6-[4,6-dihydroxy-2-(2-hydroxyethyl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl]-4-methyl-3-hexenoate

  • Molecular FormulaC18H23NO6
  • Average mass349.378 Da
  • Monoisotopic mass349.152527 Da
  • ChemSpider ID58968872

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-6-[4,6-Dihydroxy-2-(2-hydroxyéthyl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl]-4-méthyl-3-hexénoate de méthyle [French] [ACD/IUPAC Name]
3-Hexenoic acid, 6-[2,3-dihydro-4,6-dihydroxy-2-(2-hydroxyethyl)-1-oxo-1H-isoindol-5-yl]-4-methyl-, methyl ester, (3E)- [ACD/Index Name]
Methyl (3E)-6-[4,6-dihydroxy-2-(2-hydroxyethyl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl]-4-methyl-3-hexenoate [ACD/IUPAC Name]
Methyl-(3E)-6-[4,6-dihydroxy-2-(2-hydroxyethyl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl]-4-methyl-3-hexenoat [German] [ACD/IUPAC Name]
Erinacerin J

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

Density: 1.3±0.1 g/cm3
Boiling Point: 611.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 323.7±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 91.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.00
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 5.18
ACD/KOC (pH 5.5): 113.01
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.90
ACD/KOC (pH 7.4): 106.83
Polar Surface Area: 107 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 266.8±3.0 cm3

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