ChemSpider 2D Image | (3R,4S,4aS,9bS)-8-Formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3-{[2-(3-methoxyphenyl)ethyl](octanoyl)amino}-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide | C34H44N2O8

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

  • Molecular FormulaC34H44N2O8
  • Average mass608.722 Da
  • Monoisotopic mass608.309753 Da
  • ChemSpider ID5152492

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,4S,4aS,9bS)-8-Formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3-{[2-(3-methoxyphenyl)ethyl](octanoyl)amino}-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamid [German] [ACD/IUPAC Name]
(3R,4S,4aS,9bS)-8-Formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3-{[2-(3-methoxyphenyl)ethyl](octanoyl)amino}-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide [ACD/IUPAC Name]
(3R,4S,4aS,9bS)-8-Formyl-4-hydroxy-N-(2-hydroxyéthyl)-6-méthoxy-3-{[2-(3-méthoxyphényl)éthyl](octanoyl)amino}-3,4,4a,9b-tétrahydrodibenzo[b,d]furane-1-carboxamide [French] [ACD/IUPAC Name]
1-Dibenzofurancarboxamide, 8-formyl-3,4,4a,9b-tetrahydro-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3-[[2-(3-methoxyphenyl)ethyl](1-oxooctyl)amino]-, (3R,4S,4aS,9bS)- [ACD/Index Name]
SAH1_003557

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

Density: 1.3±0.1 g/cm3
Boiling Point: 835.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.3±3.0 kJ/mol
Flash Point: 459.4±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 165.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 826.11
ACD/KOC (pH 5.5): 4262.02
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 826.10
ACD/KOC (pH 7.4): 4262.00
Polar Surface Area: 135 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 480.0±5.0 cm3

Click to predict properties on the Chemicalize site


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