ChemSpider 2D Image | (3R,4S,4aS,9bS)-3-{(Cyclopentylcarbonyl)[2-(3-methoxyphenyl)ethyl]amino}-8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide | C32H38N2O8

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

  • Molecular FormulaC32H38N2O8
  • Average mass578.653 Da
  • Monoisotopic mass578.262817 Da
  • ChemSpider ID5152496

  • 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-(3-methoxyphenyl)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-(3-methoxyphenyl)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-(3-méthoxyphényl)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-(3-methoxyphenyl)ethyl]amino]-8-formyl-3,4,4a,9b-tetrahydro-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-, (3R,4S,4aS,9bS)- [ACD/Index Name]
SAH1_003561

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

Density: 1.3±0.1 g/cm3
Boiling Point: 840.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.0±3.0 kJ/mol
Flash Point: 462.2±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 153.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.68
ACD/KOC (pH 5.5): 412.96
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.68
ACD/KOC (pH 7.4): 412.96
Polar Surface Area: 135 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 429.8±5.0 cm3

Click to predict properties on the Chemicalize site


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