ChemSpider 2D Image | (3R,4S,4aS,9bS)-3-{(3-Cyclopentylpropanoyl)[2-(4-morpholinyl)ethyl]amino}-8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide | C31H43N3O8

(3R,4S,4aS,9bS)-3-{(3-Cyclopentylpropanoyl)[2-(4-morpholinyl)ethyl]amino}-8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide

  • Molecular FormulaC31H43N3O8
  • Average mass585.688 Da
  • Monoisotopic mass585.304993 Da
  • ChemSpider ID5152203

  • 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-{(3-Cyclopentylpropanoyl)[2-(4-morpholinyl)ethyl]amino}-8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamid [German] [ACD/IUPAC Name]
(3R,4S,4aS,9bS)-3-{(3-Cyclopentylpropanoyl)[2-(4-morpholinyl)ethyl]amino}-8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide [ACD/IUPAC Name]
(3R,4S,4aS,9bS)-3-{(3-Cyclopentylpropanoyl)[2-(4-morpholinyl)éthyl]amino}-8-formyl-4-hydroxy-N-(2-hydroxyéthyl)-6-méthoxy-3,4,4a,9b-tétrahydrodibenzo[b,d]furane-1-carboxamide [French] [ACD/IUPAC Name]
1-Dibenzofurancarboxamide, 3-[(3-cyclopentyl-1-oxopropyl)[2-(4-morpholinyl)ethyl]amino]-8-formyl-3,4,4a,9b-tetrahydro-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-, (3R,4S,4aS,9bS)- [ACD/Index Name]
SAH1_003265

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

Density: 1.3±0.1 g/cm3
Boiling Point: 831.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.7±3.0 kJ/mol
Flash Point: 456.9±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 154.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.26
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.48
ACD/KOC (pH 7.4): 100.02
Polar Surface Area: 138 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 439.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement