ChemSpider 2D Image | Rubrocurcumin | C23H19BO10

Rubrocurcumin

  • Molecular FormulaC23H19BO10
  • Average mass466.202 Da
  • Monoisotopic mass466.107117 Da
  • ChemSpider ID24751750

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3,2-Dioxaborolane-4,5-dione, 2-[[(1Z,4E)-5-(4-hydroxy-3-methoxyphenyl)-1-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-oxo-1,4-pentadien-1-yl]oxy]- [ACD/Index Name]
2-{[(1E,3Z,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-5-oxo-1,3,6-heptatrien-3-yl]oxy}-1,3,2-dioxaborolan-4,5-dion [German] [ACD/IUPAC Name]
2-{[(1E,3Z,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-5-oxo-1,3,6-heptatrien-3-yl]oxy}-1,3,2-dioxaborolane-4,5-dione [ACD/IUPAC Name]
2-{[(1E,3Z,6E)-1,7-Bis(4-hydroxy-3-méthoxyphényl)-5-oxo-1,3,6-heptatrién-3-yl]oxy}-1,3,2-dioxaborolane-4,5-dione [French] [ACD/IUPAC Name]
Rubrocurcumin [Wiki]
12098-66-7 [RN]
2-{[(1E,3Z,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-5-oxohepta-1,3,6-trien-3-yl]oxy}-1,3,2-dioxaborolane-4,5-dione

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

Density: 1.4±0.1 g/cm3
Boiling Point: 613.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 324.8±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 115.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 138 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 65.0±5.0 dyne/cm
Molar Volume: 326.1±5.0 cm3

Click to predict properties on the Chemicalize site


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