ChemSpider 2D Image | 25-Methyl 1-(2-methyl-2-propanyl) 7,15,23-triisobutyl-3,11,19-tris(3-methoxybenzyl)-5,9,13,17,21-pentaoxo-2,3,6,7,10,11,14,15,18,19,22,23-dodecaazapentacosane-1,25-dioate | C54H84N12O12

25-Methyl 1-(2-methyl-2-propanyl) 7,15,23-triisobutyl-3,11,19-tris(3-methoxybenzyl)-5,9,13,17,21-pentaoxo-2,3,6,7,10,11,14,15,18,19,22,23-dodecaazapentacosane-1,25-dioate

  • Molecular FormulaC54H84N12O12
  • Average mass1093.318 Da
  • Monoisotopic mass1092.633179 Da
  • ChemSpider ID9530169

More details:

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

2,3,6,7,10,11,14,15,18,19,22,23-Dodecaazapentacosane-1,25-dioic acid, 3,11,19-tris[(3-methoxyphenyl)methyl]-7,15,23-tris(2-methylpropyl)-5,9,13,17,21-pentaoxo-, 1-(1,1-dimethylethyl) 25-methyl ester [ACD/Index Name]
25-Methyl 1-(2-methyl-2-propanyl) 7,15,23-triisobutyl-3,11,19-tris(3-methoxybenzyl)-5,9,13,17,21-pentaoxo-2,3,6,7,10,11,14,15,18,19,22,23-dodecaazapentacosane-1,25-dioate [ACD/IUPAC Name]
25-Methyl-1-(2-methyl-2-propanyl)-7,15,23-triisobutyl-3,11,19-tris(3-methoxybenzyl)-5,9,13,17,21-pentaoxo-2,3,6,7,10,11,14,15,18,19,22,23-dodecaazapentacosan-1,25-dioat [German] [ACD/IUPAC Name]
7,15,23-Triisobutyl-3,11,19-tris(3-méthoxybenzyl)-5,9,13,17,21-pentaoxo-2,3,6,7,10,11,14,15,18,19,22,23-dodécaazapentacosane-1,25-dioate de 25-méthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.558
Molar Refractivity: 295.9±0.3 cm3
#H bond acceptors: 24
#H bond donors: 6
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 4
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1201.41
ACD/KOC (pH 5.5): 5568.74
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1196.42
ACD/KOC (pH 7.4): 5545.63
Polar Surface Area: 257 Å2
Polarizability: 117.3±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 917.5±3.0 cm3

Click to predict properties on the Chemicalize site


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