ChemSpider 2D Image | 8-Isobutyl-18-(6-methoxy-3,5-dimethyl-7-phenylheptyl)-1,2,5,12,15,19-hexamethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacos-21-ene-11,22-dicarboxylic acid | C46H71N7O12

8-Isobutyl-18-(6-methoxy-3,5-dimethyl-7-phenylheptyl)-1,2,5,12,15,19-hexamethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacos-21-ene-11,22-dicarboxylic acid

  • Molecular FormulaC46H71N7O12
  • Average mass914.096 Da
  • Monoisotopic mass913.516052 Da
  • ChemSpider ID21607757

More details:

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

1,4,7,10,14,17,21-Heptaazacyclopentacos-21-ene-11,22-dicarboxylic acid, 18-(6-methoxy-3,5-dimethyl-7-phenylheptyl)-1,2,5,12,15,19-hexamethyl-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo- [ACD/Index Name]
8-Isobutyl-18-(6-methoxy-3,5-dimethyl-7-phenylheptyl)-1,2,5,12,15,19-hexamethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacos-21-en-11,22-dicarbonsäure [German] [ACD/IUPAC Name]
8-Isobutyl-18-(6-methoxy-3,5-dimethyl-7-phenylheptyl)-1,2,5,12,15,19-hexamethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacos-21-ene-11,22-dicarboxylic acid [ACD/IUPAC Name]
Acide 8-isobutyl-18-(6-méthoxy-3,5-diméthyl-7-phénylheptyl)-1,2,5,12,15,19-hexaméthyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacos-21-ène-11,22-dicarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.583
Molar Refractivity: 240.5±0.5 cm3
#H bond acceptors: 19
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -4.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 279 Å2
Polarizability: 95.3±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 719.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement