ChemSpider 2D Image | 2-Methyl-2-propanyl 16-{[3-(11,12-didehydrodibenzo[b,f]azocin-5(6H)-yl)-3-oxopropyl]amino}-16-oxo-4,7,10,13-tetraoxahexadecan-1-oate | C34H44N2O8

2-Methyl-2-propanyl 16-{[3-(11,12-didehydrodibenzo[b,f]azocin-5(6H)-yl)-3-oxopropyl]amino}-16-oxo-4,7,10,13-tetraoxahexadecan-1-oate

  • Molecular FormulaC34H44N2O8
  • Average mass608.722 Da
  • Monoisotopic mass608.309753 Da
  • ChemSpider ID122678618

More details:






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

16-{[3-(11,12-Didéhydrodibenzo[b,f]azocin-5(6H)-yl)-3-oxopropyl]amino}-16-oxo-4,7,10,13-tétraoxahexadécan-1-oate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 16-{[3-(11,12-didehydrodibenzo[b,f]azocin-5(6H)-yl)-3-oxopropyl]amino}-16-oxo-4,7,10,13-tetraoxahexadecan-1-oate [ACD/IUPAC Name]
2-Methyl-2-propanyl-16-{[3-(11,12-didehydrodibenzo[b,f]azocin-5(6H)-yl)-3-oxopropyl]amino}-16-oxo-4,7,10,13-tetraoxahexadecan-1-oat [German] [ACD/IUPAC Name]
4,7,10,13-Tetraoxa-17-azaeicosan-1-oic acid, 20-(11,12-didehydrodibenz[b,f]azocin-5(6H)-yl)-16,20-dioxo-, 1,1-dimethylethyl ester [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: 804.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 440.6±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 165.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 631.18
ACD/KOC (pH 5.5): 3515.22
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 631.18
ACD/KOC (pH 7.4): 3515.23
Polar Surface Area: 113 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 505.1±5.0 cm3

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