ChemSpider 2D Image | [(11S,12R,13R)-9-(4-Fluorobenzoyl)-11,12,13-trihydroxy-1-oxa-6,9-diazacyclotetradecan-6-yl](1,3-thiazol-5-yl)methanone | C22H28FN3O6S

[(11S,12R,13R)-9-(4-Fluorobenzoyl)-11,12,13-trihydroxy-1-oxa-6,9-diazacyclotetradecan-6-yl](1,3-thiazol-5-yl)methanone

  • Molecular FormulaC22H28FN3O6S
  • Average mass481.538 Da
  • Monoisotopic mass481.168274 Da
  • ChemSpider ID80829816

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(11S,12R,13R)-9-(4-Fluorbenzoyl)-11,12,13-trihydroxy-1-oxa-6,9-diazacyclotetradecan-6-yl](1,3-thiazol-5-yl)methanon [German] [ACD/IUPAC Name]
[(11S,12R,13R)-9-(4-Fluorobenzoyl)-11,12,13-trihydroxy-1-oxa-6,9-diazacyclotetradecan-6-yl](1,3-thiazol-5-yl)methanone [ACD/IUPAC Name]
[(11S,12R,13R)-9-(4-Fluorobenzoyl)-11,12,13-trihydroxy-1-oxa-6,9-diazacyclotétradécan-6-yl](1,3-thiazol-5-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [(11S,12R,13R)-9-(4-fluorobenzoyl)-11,12,13-trihydroxy-1-oxa-6,9-diazacyclotetradec-6-yl]-5-thiazolyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 715.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 386.5±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 120.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.58
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.37
ACD/LogD (pH 7.4): -0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.37
Polar Surface Area: 152 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 353.4±3.0 cm3

Click to predict properties on the Chemicalize site


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