ChemSpider 2D Image | 26,28-Bis(benzyloxy)-11,23-dinitropentacyclo[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 | C42H34N2O8

26,28-Bis(benzyloxy)-11,23-dinitropentacyclo[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 FormulaC42H34N2O8
  • Average mass694.728 Da
  • Monoisotopic mass694.231506 Da
  • ChemSpider ID8993748

More details:

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

26,28-Bis(benzyloxy)-11,23-dinitropentacyclo[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]
26,28-Bis(benzyloxy)-11,23-dinitropentacyclo[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]
26,28-Bis(benzyloxy)-11,23-dinitropentacyclo[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, 11,23-dinitro-26,28-bis(phenylmethoxy)- [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: 868.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.6±3.0 kJ/mol
Flash Point: 479.2±34.3 °C
Index of Refraction: 1.674
Molar Refractivity: 196.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 10.16
ACD/LogD (pH 5.5): 9.49
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3289207.50
ACD/LogD (pH 7.4): 8.07
ACD/BCF (pH 7.4): 359415.91
ACD/KOC (pH 7.4): 126770.66
Polar Surface Area: 151 Å2
Polarizability: 77.7±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 522.1±3.0 cm3

Click to predict properties on the Chemicalize site


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