ChemSpider 2D Image | symphyocladin O | C14H13Br3O7

symphyocladin O

  • Molecular FormulaC14H13Br3O7
  • Average mass532.961 Da
  • Monoisotopic mass529.821106 Da
  • ChemSpider ID63002502

More details:

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

2-[2-Oxo-2-(2,3,6-tribromo-4,5-dihydroxyphényl)éthyl]succinate de diméthyle [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[2-oxo-2-(2,3,6-tribromo-4,5-dihydroxyphenyl)ethyl]-, dimethyl ester [ACD/Index Name]
Dimethyl 2-[2-oxo-2-(2,3,6-tribromo-4,5-dihydroxyphenyl)ethyl]succinate [ACD/IUPAC Name]
Dimethyl-2-[2-oxo-2-(2,3,6-tribrom-4,5-dihydroxyphenyl)ethyl]succinat [German] [ACD/IUPAC Name]
symphyocladin O

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

Density: 2.0±0.1 g/cm3
Boiling Point: 597.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 314.9±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 94.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 267.32
ACD/KOC (pH 5.5): 820.15
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 6.76
ACD/KOC (pH 7.4): 20.74
Polar Surface Area: 110 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 272.8±3.0 cm3

Click to predict properties on the Chemicalize site


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