Found 2 results

Search term: VTWHFQDOQSSIID (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl 4,5,6-trihydroxy-3-[(3-methoxy-3-oxo-1-propen-2-yl)oxy]-1-cyclohexene-1-carboxylate | C12H16O8

Methyl 4,5,6-trihydroxy-3-[(3-methoxy-3-oxo-1-propen-2-yl)oxy]-1-cyclohexene-1-carboxylate

  • Molecular FormulaC12H16O8
  • Average mass288.251 Da
  • Monoisotopic mass288.084503 Da
  • ChemSpider ID21615463

More details:

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

1-Cyclohexene-1-carboxylic acid, 4,5,6-trihydroxy-3-[[1-(methoxycarbonyl)ethenyl]oxy]-, methyl ester [ACD/Index Name]
4,5,6-Trihydroxy-3-[(3-méthoxy-3-oxo-1-propén-2-yl)oxy]-1-cyclohexène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4,5,6-trihydroxy-3-[(3-methoxy-3-oxo-1-propen-2-yl)oxy]-1-cyclohexene-1-carboxylate [ACD/IUPAC Name]
Methyl-4,5,6-trihydroxy-3-[(3-methoxy-3-oxo-1-propen-2-yl)oxy]-1-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 450.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.8±6.0 kJ/mol
Flash Point: 169.3±22.2 °C
Index of Refraction: 1.548
Molar Refractivity: 64.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.02
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.72
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.72
Polar Surface Area: 123 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 204.0±5.0 cm3

Click to predict properties on the Chemicalize site


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