ChemSpider 2D Image | 2-(4,6-Dihydroxy-1-oxo-5-{[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]oxy}-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid | C28H37NO8

2-(4,6-Dihydroxy-1-oxo-5-{[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]oxy}-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid

  • Molecular FormulaC28H37NO8
  • Average mass515.595 Da
  • Monoisotopic mass515.251892 Da
  • ChemSpider ID77452292

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(4,6-Dihydroxy-1-oxo-5-{[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]oxy}-1,3-dihydro-2H-isoindol-2-yl)pentandisäure [German] [ACD/IUPAC Name]
2-(4,6-Dihydroxy-1-oxo-5-{[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]oxy}-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid [ACD/IUPAC Name]
Acide 2-(4,6-dihydroxy-1-oxo-5-{[(2E,6E)-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]oxy}-1,3-dihydro-2H-isoindol-2-yl)pentanedioïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 2-[1,3-dihydro-4,6-dihydroxy-1-oxo-5-[[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]oxy]-2H-isoindol-2-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 784.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 428.0±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.78
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 412.7±3.0 cm3

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