ChemSpider 2D Image | (3R,4S,4aS,9bS)-3-{[2-(3-Fluorophenyl)ethyl](5-oxohexanoyl)amino}-4-hydroxy-N-(2-hydroxyethyl)-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide | C29H33FN2O6

(3R,4S,4aS,9bS)-3-{[2-(3-Fluorophenyl)ethyl](5-oxohexanoyl)amino}-4-hydroxy-N-(2-hydroxyethyl)-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide

  • Molecular FormulaC29H33FN2O6
  • Average mass524.581 Da
  • Monoisotopic mass524.232239 Da
  • ChemSpider ID5150780

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,4S,4aS,9bS)-3-{[2-(3-Fluorophenyl)ethyl](5-oxohexanoyl)amino}-4-hydroxy-N-(2-hydroxyethyl)-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide [ACD/IUPAC Name]
(3R,4S,4aS,9bS)-3-{[2-(3-Fluorophényl)éthyl](5-oxohexanoyl)amino}-4-hydroxy-N-(2-hydroxyéthyl)-3,4,4a,9b-tétrahydrodibenzo[b,d]furane-1-carboxamide [French] [ACD/IUPAC Name]
(3R,4S,4aS,9bS)-3-{[2-(3-Fluorphenyl)ethyl](5-oxohexanoyl)amino}-4-hydroxy-N-(2-hydroxyethyl)-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamid [German] [ACD/IUPAC Name]
1-Dibenzofurancarboxamide, 3-[(1,5-dioxohexyl)[2-(3-fluorophenyl)ethyl]amino]-3,4,4a,9b-tetrahydro-4-hydroxy-N-(2-hydroxyethyl)-, (3R,4S,4aS,9bS)- [ACD/Index Name]
SAH1_001833

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

Density: 1.3±0.1 g/cm3
Boiling Point: 789.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 431.0±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.44
ACD/KOC (pH 5.5): 258.24
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.44
ACD/KOC (pH 7.4): 258.24
Polar Surface Area: 116 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 393.5±5.0 cm3

Click to predict properties on the Chemicalize site


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