ChemSpider 2D Image | arenamide C | C32H57N5O7S

arenamide C

  • Molecular FormulaC32H57N5O7S
  • Average mass655.889 Da
  • Monoisotopic mass655.397888 Da
  • ChemSpider ID24610810

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1-Oxa-4,7,10,13,16-pentaazacyclononadecane-2,5,8,11,14,17-hexone, 6-methyl-12-(1-methylethyl)-19-(1-methylheptyl)-9-(2-methylpropyl)-3-[2-(methylthio)ethyl]- [ACD/Index Name]
9-Isobutyl-12-isopropyl-6-methyl-3-[2-(methylsulfanyl)ethyl]-19-(2-octanyl)-1-oxa-4,7,10,13,16-pentaazacyclononadecan-2,5,8,11,14,17-hexon [German] [ACD/IUPAC Name]
9-Isobutyl-12-isopropyl-6-methyl-3-[2-(methylsulfanyl)ethyl]-19-(2-octanyl)-1-oxa-4,7,10,13,16-pentaazacyclononadecane-2,5,8,11,14,17-hexone [ACD/IUPAC Name]
9-Isobutyl-12-isopropyl-6-méthyl-3-[2-(méthylsulfanyl)éthyl]-19-(2-octanyl)-1-oxa-4,7,10,13,16-pentaazacyclononadécane-2,5,8,11,14,17-hexone [French] [ACD/IUPAC Name]
arenamide C

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

Density: 1.0±0.1 g/cm3
Boiling Point: 975.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.2±3.0 kJ/mol
Flash Point: 543.5±34.3 °C
Index of Refraction: 1.466
Molar Refractivity: 175.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 14.05
ACD/KOC (pH 5.5): 230.55
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 14.05
ACD/KOC (pH 7.4): 230.55
Polar Surface Area: 197 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 633.0±3.0 cm3

Click to predict properties on the Chemicalize site


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