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Search term: IUGVVWZUJIBTBC (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-(4-Oxo-2-phenyl-4H-chromen-6-yl) 18-(4-oxo-3-phenyl-4H-chromen-7-yl) 4,15-dioxo-3,6,9,16-tetraoxaoctadecane-1,18-dioate | C44H38O14

1-(4-Oxo-2-phenyl-4H-chromen-6-yl) 18-(4-oxo-3-phenyl-4H-chromen-7-yl) 4,15-dioxo-3,6,9,16-tetraoxaoctadecane-1,18-dioate

  • Molecular FormulaC44H38O14
  • Average mass790.764 Da
  • Monoisotopic mass790.226135 Da
  • ChemSpider ID57259616

More details:

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

1-(4-Oxo-2-phenyl-4H-chromen-6-yl) 18-(4-oxo-3-phenyl-4H-chromen-7-yl) 4,15-dioxo-3,6,9,16-tetraoxaoctadecane-1,18-dioate [ACD/IUPAC Name]
1-(4-Oxo-2-phenyl-4H-chromen-6-yl)-18-(4-oxo-3-phenyl-4H-chromen-7-yl)-4,15-dioxo-3,6,9,16-tetraoxaoctadecan-1,18-dioat [German] [ACD/IUPAC Name]
3,6,9,16-Tetraoxaoctadecane-1,18-dioic acid, 4,15-dioxo-, 1-(4-oxo-2-phenyl-4H-1-benzopyran-6-yl) 18-(4-oxo-3-phenyl-4H-1-benzopyran-7-yl) ester [ACD/Index Name]
4,15-Dioxo-3,6,9,16-tétraoxaoctadécane-1,18-dioate de 1-(4-oxo-2-phényl-4H-chromén-6-yle) et de 18-(4-oxo-3-phényl-4H-chromén-7-yle) [French] [ACD/IUPAC Name]
[2-OXO-2-(4-OXO-3-PHENYL-CHROMEN-7-YL)OXY-ETHYL]-6-[2-[2-OXO-2-[2-OXO-2-(4-OXO-2-PHENYL-CHROMEN-6-YL)OXY-ETHOXY]ETHOXY]ETHOXY]HEXANOATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 902.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.2±3.0 kJ/mol
Flash Point: 358.2±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 202.4±0.3 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 6.93
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 51973.24
ACD/KOC (pH 5.5): 82629.88
ACD/LogD (pH 7.4): 6.51
ACD/BCF (pH 7.4): 51973.24
ACD/KOC (pH 7.4): 82629.88
Polar Surface Area: 176 Å2
Polarizability: 80.2±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 590.0±3.0 cm3

Click to predict properties on the Chemicalize site


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