ChemSpider 2D Image | 5,8,11,14,21,24,27,30,34,42-Decaoxa-44-azapentacyclo[16.14.11.1~36,40~.0~4,31~.0~15,20~]tetratetraconta-1,3,15,17,19,31,36(44),37,39-nonaene-35,41-dione | C33H37NO12

5,8,11,14,21,24,27,30,34,42-Decaoxa-44-azapentacyclo[16.14.11.136,40.04,31.015,20]tetratetraconta-1,3,15,17,19,31,36(44),37,39-nonaene-35,41-dione

  • Molecular FormulaC33H37NO12
  • Average mass639.646 Da
  • Monoisotopic mass639.231567 Da
  • ChemSpider ID17344203

More details:

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

5,8,11,14,21,24,27,30,34,42-Decaoxa-44-azapentacyclo[16.14.11.136,40.04,31.015,20]tetratetraconta-1,3,15,17,19,31,36(44),37,39-nonaen-35,41-dion [German] [ACD/IUPAC Name]
5,8,11,14,21,24,27,30,34,42-Decaoxa-44-azapentacyclo[16.14.11.136,40.04,31.015,20]tetratetraconta-1,3,15,17,19,31,36(44),37,39-nonaene-35,41-dione [ACD/IUPAC Name]
5,8,11,14,21,24,27,30,34,42-Décaoxa-44-azapentacyclo[16.14.11.136,40.04,31.015,20]tétratétraconta-1,3,15,17,19,31,36(44),37,39-nonaène-35,41-dione [French] [ACD/IUPAC 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: 877.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.6±3.0 kJ/mol
Flash Point: 484.6±34.3 °C
Index of Refraction: 1.517
Molar Refractivity: 160.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: -0.57
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.41
ACD/KOC (pH 5.5): 211.15
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.41
ACD/KOC (pH 7.4): 211.15
Polar Surface Area: 139 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 529.6±3.0 cm3

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