ChemSpider 2D Image | (3R,4S,4aS,9bS)-8-Formyl-4-hydroxy-N-(2-hydroxyethyl)-3-{({[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl]oxy}acetyl)[2-(2-methoxyphenyl)ethyl]amino}-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carb oxamide | C38H50N2O9

(3R,4S,4aS,9bS)-8-Formyl-4-hydroxy-N-(2-hydroxyethyl)-3-{({[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl]oxy}acetyl)[2-(2-methoxyphenyl)ethyl]amino}-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carb oxamide

  • Molecular FormulaC38H50N2O9
  • Average mass678.812 Da
  • Monoisotopic mass678.351624 Da
  • ChemSpider ID5152529

  • defined stereocentres - 7 of 7 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)-3-{({[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl]oxy}acetyl)[2-(2-methoxyphenyl)ethyl]amino}-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carb oxamid [German] [ACD/IUPAC Name]
(3R,4S,4aS,9bS)-8-Formyl-4-hydroxy-N-(2-hydroxyethyl)-3-{({[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl]oxy}acetyl)[2-(2-methoxyphenyl)ethyl]amino}-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carb oxamide [ACD/IUPAC Name]
(3R,4S,4aS,9bS)-8-Formyl-4-hydroxy-N-(2-hydroxyéthyl)-3-{(2-{[(1S,2R,5S)-2-isopropyl-5-méthylcyclohexyl]oxy}acétyl)[2-(2-méthoxyphényl)éthyl]amino}-6-méthoxy-3,4,4a,9b-tétrahydrodibenzo[b,d]furane-1-c arboxamide [French] [ACD/IUPAC Name]
1-Dibenzofurancarboxamide, 8-formyl-3,4,4a,9b-tetrahydro-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3-[[2-(2-methoxyphenyl)ethyl][2-[[(1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]acetyl]amino]-, (3 R,4S,4aS,9bS)- [ACD/Index Name]
SAH1_003594

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

Density: 1.3±0.1 g/cm3
Boiling Point: 861.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.2±3.0 kJ/mol
Flash Point: 475.1±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 183.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1098.94
ACD/KOC (pH 5.5): 5227.92
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1098.94
ACD/KOC (pH 7.4): 5227.90
Polar Surface Area: 144 Å2
Polarizability: 72.7±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 533.7±5.0 cm3

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