ChemSpider 2D Image | Variegatorubin | C18H10O9

Variegatorubin

  • Molecular FormulaC18H10O9
  • Average mass370.267 Da
  • Monoisotopic mass370.032471 Da
  • ChemSpider ID52082514

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-3-[4-(3,4-Dihydroxyphenyl)-3-hydroxy-5-oxo-2(5H)-furanyliden]-5,6-dihydroxy-1-benzofuran-2(3H)-on [German] [ACD/IUPAC Name]
(3E)-3-[4-(3,4-Dihydroxyphenyl)-3-hydroxy-5-oxo-2(5H)-furanylidene]-5,6-dihydroxy-1-benzofuran-2(3H)-one [ACD/IUPAC Name]
(3E)-3-[4-(3,4-Dihydroxyphényl)-3-hydroxy-5-oxo-2(5H)-furanylidène]-5,6-dihydroxy-1-benzofuran-2(3H)-one [French] [ACD/IUPAC Name]
2(3H)-Benzofuranone, 3-[4-(3,4-dihydroxyphenyl)-3-hydroxy-5-oxo-2(5H)-furanylidene]-5,6-dihydroxy-, (3E)- [ACD/Index Name]
Variegatorubin [Wiki]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 739.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 275.9±26.4 °C
Index of Refraction: 1.877
Molar Refractivity: 86.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.99
ACD/LogD (pH 7.4): -1.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 135.5±3.0 dyne/cm
Molar Volume: 189.4±3.0 cm3

Click to predict properties on the Chemicalize site


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