ChemSpider 2D Image | 1-[(11R,12R,13R)-12,13-Dihydroxy-6-(4-methylbenzoyl)-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradecan-9-yl]ethanone | C26H42N2O6

1-[(11R,12R,13R)-12,13-Dihydroxy-6-(4-methylbenzoyl)-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradecan-9-yl]ethanone

  • Molecular FormulaC26H42N2O6
  • Average mass478.621 Da
  • Monoisotopic mass478.304291 Da
  • ChemSpider ID80830344

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-[(11R,12R,13R)-12,13-Dihydroxy-6-(4-methylbenzoyl)-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradecan-9-yl]ethanon [German] [ACD/IUPAC Name]
1-[(11R,12R,13R)-12,13-Dihydroxy-6-(4-methylbenzoyl)-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradecan-9-yl]ethanone [ACD/IUPAC Name]
1-[(11R,12R,13R)-12,13-Dihydroxy-6-(4-méthylbenzoyl)-11-(3-méthylbutoxy)-1-oxa-6,9-diazacyclotétradécan-9-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(11R,12R,13R)-12,13-dihydroxy-6-(4-methylbenzoyl)-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradec-9-yl]- [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: 672.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 360.3±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 131.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.99
ACD/KOC (pH 5.5): 307.57
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.99
ACD/KOC (pH 7.4): 307.57
Polar Surface Area: 100 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 412.7±5.0 cm3

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