ChemSpider 2D Image | 4-{6-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-4-hydroxy-5-(3-methyl-2-buten-1-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl}butanoic acid | C25H27NO8

4-{6-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-4-hydroxy-5-(3-methyl-2-buten-1-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl}butanoic acid

  • Molecular FormulaC25H27NO8
  • Average mass469.484 Da
  • Monoisotopic mass469.173676 Da
  • ChemSpider ID78435338

More details:

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

2H-Isoindole-2-butanoic acid, 6-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-1,3-dihydro-4-hydroxy-5-(3-methyl-2-buten-1-yl)-1-oxo- [ACD/Index Name]
4-{6-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-4-hydroxy-5-(3-methyl-2-buten-1-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl}butanoic acid [ACD/IUPAC Name]
4-{6-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-4-hydroxy-5-(3-methyl-2-buten-1-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl}butansäure [German] [ACD/IUPAC Name]
Acide 4-{6-[(2,4-dihydroxy-6-méthylbenzoyl)oxy]-4-hydroxy-5-(3-méthyl-2-butén-1-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl}butanoïque [French] [ACD/IUPAC Name]
Sterenin K

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

Density: 1.4±0.1 g/cm3
Boiling Point: 789.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 431.5±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 123.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 36.86
ACD/KOC (pH 5.5): 245.21
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.59
Polar Surface Area: 145 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 342.0±3.0 cm3

Click to predict properties on the Chemicalize site


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