ChemSpider 2D Image | (3R,4S,4aS,9bS)-3-{(Cyclopentylcarbonyl)[2-(2,5-dimethoxyphenyl)ethyl]amino}-8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide | C33H40N2O9

(3R,4S,4aS,9bS)-3-{(Cyclopentylcarbonyl)[2-(2,5-dimethoxyphenyl)ethyl]amino}-8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide

  • Molecular FormulaC33H40N2O9
  • Average mass608.679 Da
  • Monoisotopic mass608.273376 Da
  • ChemSpider ID5152585

  • 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-{(Cyclopentylcarbonyl)[2-(2,5-dimethoxyphenyl)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-{(Cyclopentylcarbonyl)[2-(2,5-dimethoxyphenyl)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-{(Cyclopentylcarbonyl)[2-(2,5-diméthoxyphényl)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-[(cyclopentylcarbonyl)[2-(2,5-dimethoxyphenyl)ethyl]amino]-8-formyl-3,4,4a,9b-tetrahydro-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-, (3R,4S,4aS,9bS)- [ACD/Index Name]
SAH1_003651

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

Density: 1.3±0.1 g/cm3
Boiling Point: 857.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.6±3.0 kJ/mol
Flash Point: 472.5±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 160.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.75
ACD/KOC (pH 5.5): 394.79
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.75
ACD/KOC (pH 7.4): 394.79
Polar Surface Area: 144 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 451.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement