ChemSpider 2D Image | 2-{2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy}ethyl 2-[(5H-dibenzo[b,f]azepin-5-ylcarbonyl)amino]-14-hydroxy-3,6,9,12-tetraoxatetradecan-1-oate | C33H46N2O12

2-{2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy}ethyl 2-[(5H-dibenzo[b,f]azepin-5-ylcarbonyl)amino]-14-hydroxy-3,6,9,12-tetraoxatetradecan-1-oate

  • Molecular FormulaC33H46N2O12
  • Average mass662.724 Da
  • Monoisotopic mass662.305054 Da
  • ChemSpider ID8683987

More details:

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

2-[(5H-Dibenzo[b,f]azépin-5-ylcarbonyl)amino]-14-hydroxy-3,6,9,12-tétraoxatétradécan-1-oate de 2-{2-[2-(2-hydroxyéthoxy)éthoxy]éthoxy}éthyle [French] [ACD/IUPAC Name]
2-{2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy}ethyl 2-[(5H-dibenzo[b,f]azepin-5-ylcarbonyl)amino]-14-hydroxy-3,6,9,12-tetraoxatetradecan-1-oate [ACD/IUPAC Name]
2-{2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy}ethyl-2-[(5H-dibenzo[b,f]azepin-5-ylcarbonyl)amino]-14-hydroxy-3,6,9,12-tetraoxatetradecan-1-oat [German] [ACD/IUPAC Name]
3,6,9,12-Tetraoxatetradecan-1-oic acid, 2-[(5H-dibenz[b,f]azepin-5-ylcarbonyl)amino]-14-hydroxy-, 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 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: 807.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.1±3.0 kJ/mol
Flash Point: 442.4±34.3 °C
Index of Refraction: 1.552
Molar Refractivity: 170.2±0.3 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.24
ACD/KOC (pH 5.5): 80.83
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.24
ACD/KOC (pH 7.4): 80.70
Polar Surface Area: 164 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 532.3±3.0 cm3

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