ChemSpider 2D Image | 1-[(11R,12R,13R)-12,13-Dihydroxy-6-(1H-imidazol-2-ylmethyl)-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradecan-9-yl]ethanone | C22H40N4O5

1-[(11R,12R,13R)-12,13-Dihydroxy-6-(1H-imidazol-2-ylmethyl)-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradecan-9-yl]ethanone

  • Molecular FormulaC22H40N4O5
  • Average mass440.577 Da
  • Monoisotopic mass440.299866 Da
  • ChemSpider ID80830367

  • 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-(1H-imidazol-2-ylmethyl)-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradecan-9-yl]ethanon [German] [ACD/IUPAC Name]
1-[(11R,12R,13R)-12,13-Dihydroxy-6-(1H-imidazol-2-ylmethyl)-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradecan-9-yl]ethanone [ACD/IUPAC Name]
1-[(11R,12R,13R)-12,13-Dihydroxy-6-(1H-imidazol-2-ylméthyl)-11-(3-méthylbutoxy)-1-oxa-6,9-diazacyclotétradécan-9-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(11R,12R,13R)-12,13-dihydroxy-6-(1H-imidazol-2-ylmethyl)-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: 667.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 357.5±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 118.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): -1.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.23
Polar Surface Area: 111 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 373.1±5.0 cm3

Click to predict properties on the Chemicalize site


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