ChemSpider 2D Image | 2,2'-{[26,28-Dihydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,27-diyl]bis(oxy)}bis[N-(4-methylphenyl)acetamide] | C46H42N2O6

2,2'-{[26,28-Dihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,27-diyl]bis(oxy)}bis[N-(4-methylphenyl)acetamide]

  • Molecular FormulaC46H42N2O6
  • Average mass718.836 Da
  • Monoisotopic mass718.304260 Da
  • ChemSpider ID21141978

More details:

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

2,2'-{[26,28-Dihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen-25,27-diyl]bis(oxy)}bis[N-(4-methylphenyl)acetamid] [German] [ACD/IUPAC Name]
2,2'-{[26,28-Dihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,27-diyl]bis(oxy)}bis[N-(4-methylphenyl)acetamide] [ACD/IUPAC Name]
2,2'-{[26,28-Dihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodécaène-25,27-diyl]bis(oxy)}bis[N-(4-méthylphényl)acétamide] [French] [ACD/IUPAC Name]
Acetamide, 2,2'-[[26,28-dihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diyl]bis(oxy)]bis[N-(4-methylphenyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 959.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.5±3.0 kJ/mol
Flash Point: 534.1±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 211.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.79
ACD/LogD (pH 5.5): 8.09
ACD/BCF (pH 5.5): 825258.88
ACD/KOC (pH 5.5): 597932.06
ACD/LogD (pH 7.4): 8.09
ACD/BCF (pH 7.4): 822062.06
ACD/KOC (pH 7.4): 595615.81
Polar Surface Area: 117 Å2
Polarizability: 83.8±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 564.5±3.0 cm3

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