ChemSpider 2D Image | 8,15-Bis{3-[(diaminomethylene)amino]propyl}-18-(6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacos ane-11,22-dicarboxylic acid | C49H75N13O12

8,15-Bis{3-[(diaminomethylene)amino]propyl}-18-(6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacos ane-11,22-dicarboxylic acid

  • Molecular FormulaC49H75N13O12
  • Average mass1038.200 Da
  • Monoisotopic mass1037.565796 Da
  • ChemSpider ID3324998

More details:

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

1,4,7,10,14,17,21-Heptaazacyclopentacosane-11,22-dicarboxylic acid, 8,15-bis[3-[(diaminomethylene)amino]propyl]-18-(6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl)-1,5,12,19-tetramethyl-2-methylen e-3,6,9,13,16,20,25-heptaoxo- [ACD/Index Name]
8,15-Bis{3-[(diaminomethylen)amino]propyl}-18-(6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl)-1,5,12,19-tetramethyl-2-methylen-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosan -11,22-dicarbonsäure [German] [ACD/IUPAC Name]
8,15-Bis{3-[(diaminomethylene)amino]propyl}-18-(6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacos ane-11,22-dicarboxylic acid [ACD/IUPAC Name]
Acide 8,15-bis{3-[(diaminométhylène)amino]propyl}-18-(6-méthoxy-3,5-diméthyl-7-phényl-1,3-heptadién-1-yl)-1,5,12,19-tétraméthyl-2-méthylène-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclope ntacosane-11,22-dicarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 268.6±0.5 cm3
#H bond acceptors: 25
#H bond donors: 16
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -3.68
ACD/LogD (pH 5.5): -5.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 408 Å2
Polarizability: 106.5±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 765.7±7.0 cm3

Click to predict properties on the Chemicalize site


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