ChemSpider 2D Image | terfucopentaphlorethol docosacetate | C98H82O49

terfucopentaphlorethol docosacetate

  • Molecular FormulaC98H82O49
  • Average mass2043.670 Da
  • Monoisotopic mass2042.392456 Da
  • ChemSpider ID10473531

More details:

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

[1,1'-Biphenyl]-2,2',4,4',6,6'-hexol, 3,3'-[[5-(acetyloxy)-2-[3,5-bis(acetyloxy)-4-[[2',4,4',6,6'-pentakis(acetyloxy)-5-[3,5-bis(acetyloxy)phenoxy][1,1'-biphenyl]-2-yl]oxy]phenoxy]-1,3-phenylene]bis(o xy)]bis-, dodecaacetate [ACD/Index Name]
3-Acetoxy-5-{4-acetoxy-2,6-bis[(2,2',4,4',6,6'-hexaacetoxy-3-biphenylyl)oxy]phenoxy}-2-{[2',4,4',6,6'-pentaacetoxy-5-(3,5-diacetoxyphenoxy)-2-biphenylyl]oxy}phenyl acetate [ACD/IUPAC Name]
3-Acetoxy-5-{4-acetoxy-2,6-bis[(2,2',4,4',6,6'-hexaacetoxy-3-biphenylyl)oxy]phenoxy}-2-{[2',4,4',6,6'-pentaacetoxy-5-(3,5-diacetoxyphenoxy)-2-biphenylyl]oxy}phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-acétoxy-5-{4-acétoxy-2,6-bis[(2,2',4,4',6,6'-hexaacétoxy-3-biphénylyl)oxy]phénoxy}-2-{[2',4,4',6,6'-pentaacétoxy-5-(3,5-diacétoxyphénoxy)-2-biphénylyl]oxy}phényle [French] [ACD/IUPAC Name]
terfucopentaphlorethol docosacetate

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.571
Molar Refractivity: 481.7±0.3 cm3
#H bond acceptors: 49
#H bond donors: 0
#Freely Rotating Bonds: 57
#Rule of 5 Violations: 2
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 2957.95
ACD/KOC (pH 5.5): 10620.13
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2957.95
ACD/KOC (pH 7.4): 10620.13
Polar Surface Area: 625 Å2
Polarizability: 191.0±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 1466.1±3.0 cm3

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