ChemSpider 2D Image | 4,7,10,13,16,22,25,28,31,34,38,46-Dodecaoxa-48-azapentacyclo[17.17.11.1~3,35~.1~17,21~.1~40,44~]pentaconta-1,3(49),17(50),18,20,35,40(48),41,43-nonaene-39,45-dione | C37H45NO14

4,7,10,13,16,22,25,28,31,34,38,46-Dodecaoxa-48-azapentacyclo[17.17.11.13,35.117,21.140,44]pentaconta-1,3(49),17(50),18,20,35,40(48),41,43-nonaene-39,45-dione

  • Molecular FormulaC37H45NO14
  • Average mass727.752 Da
  • Monoisotopic mass727.283997 Da
  • ChemSpider ID9552527

More details:

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

4,7,10,13,16,22,25,28,31,34,38,46-Dodecaoxa-48-azapentacyclo[17.17.11.13,35.117,21.140,44]pentaconta-1,3(49),17(50),18,20,35,40(48),41,43-nonaen-39,45-dion [German] [ACD/IUPAC Name]
4,7,10,13,16,22,25,28,31,34,38,46-Dodecaoxa-48-azapentacyclo[17.17.11.13,35.117,21.140,44]pentaconta-1,3(49),17(50),18,20,35,40(48),41,43-nonaene-39,45-dione [ACD/IUPAC Name]
4,7,10,13,16,22,25,28,31,34,38,46-Dodécaoxa-48-azapentacyclo[17.17.11.13,35.117,21.140,44]pentaconta-1,3(49),17(50),18,20,35,40(48),41,43-nonaène-39,45-dione [French] [ACD/IUPAC Name]
4,7,10,13,16,22,25,28,31,34,38,46-Dodecaoxa-48-azapentacyclo[17.17.11.13,35.117,21.140,44]pentaconta-1,3(49),17,19,21(50),35,40,42,44(48)-nonaene-39,45-dione [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 959.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.8±3.0 kJ/mol
Flash Point: 533.8±34.3 °C
Index of Refraction: 1.501
Molar Refractivity: 182.0±0.3 cm3
#H bond acceptors: 15
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: -0.89
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.63
ACD/KOC (pH 5.5): 119.92
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.63
ACD/KOC (pH 7.4): 119.92
Polar Surface Area: 158 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 618.1±3.0 cm3

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