ChemSpider 2D Image | (4aS,9R,15aR)-9-Hydroxy-7-(2-methoxyethyl)-10,10-dimethyl-6-oxo-N-(2-thienyl)tetradecahydropyrido[4,3-i][1,6]oxazacyclotridecine-2(1H)-carboxamide | C24H39N3O5S

(4aS,9R,15aR)-9-Hydroxy-7-(2-methoxyethyl)-10,10-dimethyl-6-oxo-N-(2-thienyl)tetradecahydropyrido[4,3-i][1,6]oxazacyclotridecine-2(1H)-carboxamide

  • Molecular FormulaC24H39N3O5S
  • Average mass481.649 Da
  • Monoisotopic mass481.261047 Da
  • ChemSpider ID68151925

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4aS,9R,15aR)-9-Hydroxy-7-(2-methoxyethyl)-10,10-dimethyl-6-oxo-N-(2-thienyl)tetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-2(1H)-carboxamid [German] [ACD/IUPAC Name]
(4aS,9R,15aR)-9-Hydroxy-7-(2-methoxyethyl)-10,10-dimethyl-6-oxo-N-(2-thienyl)tetradecahydropyrido[4,3-i][1,6]oxazacyclotridecine-2(1H)-carboxamide [ACD/IUPAC Name]
(4aS,9R,15aR)-9-Hydroxy-7-(2-méthoxyéthyl)-10,10-diméthyl-6-oxo-N-(2-thiényl)tétradécahydropyrido[4,3-i][1,6]oxazacyclotridécine-2(1H)-carboxamide [French] [ACD/IUPAC Name]
Pyrido[4,3-i][1,6]oxaazacyclotridecine-2(1H)-carboxamide, tetradecahydro-9-hydroxy-7-(2-methoxyethyl)-10,10-dimethyl-6-oxo-N-2-thienyl-, (4aS,9R,15aR)- [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: 699.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 376.6±31.5 °C
Index of Refraction: 1.538
Molar Refractivity: 130.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.13
ACD/KOC (pH 5.5): 809.48
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.13
ACD/KOC (pH 7.4): 809.48
Polar Surface Area: 120 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 416.2±3.0 cm3

Click to predict properties on the Chemicalize site


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