ChemSpider 2D Image | 5,11,17,23-Tetrabromo-26,28-dimethoxypentacyclo[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-diol | C30H24Br4O4

5,11,17,23-Tetrabromo-26,28-dimethoxypentacyclo[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-diol

  • Molecular FormulaC30H24Br4O4
  • Average mass768.125 Da
  • Monoisotopic mass763.840759 Da
  • ChemSpider ID30653903

More details:

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

5,11,17,23-Tetrabrom-26,28-dimethoxypentacyclo[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-diol [German] [ACD/IUPAC Name]
5,11,17,23-Tetrabromo-26,28-dimethoxypentacyclo[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-diol [ACD/IUPAC Name]
5,11,17,23-Tétrabromo-26,28-diméthoxypentacyclo[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-diol [French] [ACD/IUPAC Name]
Pentacyclo[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-diol, 5,11,17,23-tetrabromo-26,28-dimethoxy- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 766.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 417.3±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 164.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 10.76
ACD/LogD (pH 5.5): 9.77
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4943587.50
ACD/LogD (pH 7.4): 9.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4831410.50
Polar Surface Area: 59 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 441.7±3.0 cm3

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