ChemSpider 2D Image | Methyl (3E)-5-acetoxy-3-[(2E)-1-hydroxy-4-methoxy-4-oxo-2-buten-1-ylidene]-3,6-dihydro-2H-pyran-4-carboxylate | C14H16O8

Methyl (3E)-5-acetoxy-3-[(2E)-1-hydroxy-4-methoxy-4-oxo-2-buten-1-ylidene]-3,6-dihydro-2H-pyran-4-carboxylate

  • Molecular FormulaC14H16O8
  • Average mass312.272 Da
  • Monoisotopic mass312.084503 Da
  • ChemSpider ID32674940

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-5-Acétoxy-3-[(2E)-1-hydroxy-4-méthoxy-4-oxo-2-butén-1-ylidène]-3,6-dihydro-2H-pyrane-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-Pyran-4-carboxylic acid, 5-(acetyloxy)-3,6-dihydro-3-[(2E)-1-hydroxy-4-methoxy-4-oxo-2-buten-1-ylidene]-, methyl ester, (3E)- [ACD/Index Name]
Methyl (3E)-5-acetoxy-3-[(2E)-1-hydroxy-4-methoxy-4-oxo-2-buten-1-ylidene]-3,6-dihydro-2H-pyran-4-carboxylate [ACD/IUPAC Name]
Methyl-(3E)-5-acetoxy-3-[(2E)-1-hydroxy-4-methoxy-4-oxo-2-buten-1-yliden]-3,6-dihydro-2H-pyran-4-carboxylat [German] [ACD/IUPAC Name]
isariketide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 457.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±6.0 kJ/mol
Flash Point: 167.7±22.2 °C
Index of Refraction: 1.533
Molar Refractivity: 72.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 52.17
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.74
ACD/KOC (pH 7.4): 51.46
Polar Surface Area: 108 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 233.4±5.0 cm3

Click to predict properties on the Chemicalize site


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