ChemSpider 2D Image | 1-Benzyl-9-(3-hydroxybenzyl)-13-isobutyl-5-methyl-1,2,5,6,9,10,13,14-octaazacyclohexadecane-3,7,11,15-tetrone | C27H38N8O5

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

  • Molecular FormulaC27H38N8O5
  • Average mass554.641 Da
  • Monoisotopic mass554.296509 Da
  • ChemSpider ID30658780

More details:

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

1,2,5,6,9,10,13,14-Octaazacyclohexadecane-3,7,11,15-tetrone, 1-[(3-hydroxyphenyl)methyl]-13-methyl-5-(2-methylpropyl)-9-(phenylmethyl)- [ACD/Index Name]
1-Benzyl-9-(3-hydroxybenzyl)-13-isobutyl-5-methyl-1,2,5,6,9,10,13,14-octaazacyclohexadecan-3,7,11,15-tetron [German] [ACD/IUPAC Name]
1-Benzyl-9-(3-hydroxybenzyl)-13-isobutyl-5-methyl-1,2,5,6,9,10,13,14-octaazacyclohexadecane-3,7,11,15-tetrone [ACD/IUPAC Name]
1-Benzyl-9-(3-hydroxybenzyl)-13-isobutyl-5-méthyl-1,2,5,6,9,10,13,14-octaazacyclohexadécane-3,7,11,15-tétrone [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: 1.553
Molar Refractivity: 148.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -3.30
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.47
ACD/LogD (pH 7.4): -1.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.46
Polar Surface Area: 150 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 464.2±3.0 cm3

Click to predict properties on the Chemicalize site


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