ChemSpider 2D Image | 2-{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}-3-methylpentanoic acid | C27H31NO8

2-{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}-3-methylpentanoic acid

  • Molecular FormulaC27H31NO8
  • Average mass497.537 Da
  • Monoisotopic mass497.204956 Da
  • ChemSpider ID78435348

More details:

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

2-{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}-3-methylpentanoic acid [ACD/IUPAC Name]
2-{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}-3-methylpentansäure [German] [ACD/IUPAC Name]
2H-Isoindole-2-acetic acid, 6-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-1,3-dihydro-4-hydroxy-5-(3-methyl-2-buten-1-yl)-α-(1-methylpropyl)-1-oxo- [ACD/Index Name]
Acide 2-{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}-3-méthylpentanoïque [French] [ACD/IUPAC Name]
Sterenin L

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

Density: 1.3±0.1 g/cm3
Boiling Point: 781.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 426.5±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 132.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 7.45
ACD/KOC (pH 5.5): 34.27
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 373.5±3.0 cm3

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