ChemSpider 2D Image | (3R,4S,4aS,9bS)-8-Formyl-4-hydroxy-N-(2-hydroxyethyl)-3-{({[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl]oxy}acetyl)[(2S)-tetrahydro-2-furanylmethyl]amino}-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan -1-carboxamide | C34H48N2O9

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

  • Molecular FormulaC34H48N2O9
  • Average mass628.753 Da
  • Monoisotopic mass628.335999 Da
  • ChemSpider ID5151997

  • defined stereocentres - 8 of 8 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)[(2S)-tetrahydro-2-furanylmethyl]amino}-6-methoxy-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)-3-{({[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl]oxy}acetyl)[(2S)-tetrahydro-2-furanylmethyl]amino}-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan -1-carboxamide [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)[(2S)-tétrahydro-2-furanylméthyl]amino}-6-méthoxy-3,4,4a,9b-tétrahydrodibenzo[b,d]fur ane-1-carboxamide [French] [ACD/IUPAC Name]
1-Dibenzofurancarboxamide, 8-formyl-3,4,4a,9b-tetrahydro-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3-[[2-[[(1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]acetyl][[(2S)-tetrahydro-2-furanyl]methyl]am ino]-, (3R,4S,4aS,9bS)- [ACD/Index Name]
SAH1_003054

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

Density: 1.3±0.1 g/cm3
Boiling Point: 827.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.0±3.0 kJ/mol
Flash Point: 454.1±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 165.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 78.13
ACD/KOC (pH 5.5): 787.93
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 78.13
ACD/KOC (pH 7.4): 787.93
Polar Surface Area: 144 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 490.0±5.0 cm3

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