ChemSpider 2D Image | 1-(3-Hydroxybenzyl)-5-isobutyl-13-methyl-9-(2-pyridinylmethyl)-1,2,5,6,9,10,13,14-octaazacyclohexadecane-3,7,11,15-tetrone | C26H37N9O5

1-(3-Hydroxybenzyl)-5-isobutyl-13-methyl-9-(2-pyridinylmethyl)-1,2,5,6,9,10,13,14-octaazacyclohexadecane-3,7,11,15-tetrone

  • Molecular FormulaC26H37N9O5
  • Average mass555.629 Da
  • Monoisotopic mass555.291748 Da
  • ChemSpider ID30658782

More details:

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

1-(3-Hydroxybenzyl)-5-isobutyl-13-methyl-9-(2-pyridinylmethyl)-1,2,5,6,9,10,13,14-octaazacyclohexadecan-3,7,11,15-tetron [German] [ACD/IUPAC Name]
1-(3-Hydroxybenzyl)-5-isobutyl-13-methyl-9-(2-pyridinylmethyl)-1,2,5,6,9,10,13,14-octaazacyclohexadecane-3,7,11,15-tetrone [ACD/IUPAC Name]
1-(3-Hydroxybenzyl)-5-isobutyl-13-méthyl-9-(2-pyridinylméthyl)-1,2,5,6,9,10,13,14-octaazacyclohexadécane-3,7,11,15-tétrone [French] [ACD/IUPAC Name]
1,2,5,6,9,10,13,14-Octaazacyclohexadecane-3,7,11,15-tetrone, 1-[(3-hydroxyphenyl)methyl]-13-methyl-5-(2-methylpropyl)-9-(2-pyridinylmethyl)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.554
Molar Refractivity: 146.6±0.3 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -4.79
ACD/LogD (pH 5.5): -2.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 457.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement