ChemSpider 2D Image | 4-Hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-3-[(3-isopropoxypropyl)(tetrahydro-3-furanylcarbonyl)amino]-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide | C28H40N2O9

4-Hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-3-[(3-isopropoxypropyl)(tetrahydro-3-furanylcarbonyl)amino]-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide

  • Molecular FormulaC28H40N2O9
  • Average mass548.625 Da
  • Monoisotopic mass548.273376 Da
  • ChemSpider ID2866873

More details:

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

1-Dibenzofurancarboxamide, 3,4,4a,9b-tetrahydro-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3-[[3-(1-methylethoxy)propyl][(tetrahydro-3-furanyl)carbonyl]amino]- [ACD/Index Name]
4-Hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-3-[(3-isopropoxypropyl)(tetrahydro-3-furanylcarbonyl)amino]-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamid [German] [ACD/IUPAC Name]
4-Hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-3-[(3-isopropoxypropyl)(tetrahydro-3-furanylcarbonyl)amino]-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide [ACD/IUPAC Name]
4-Hydroxy-N-(2-hydroxyéthyl)-8-(hydroxyméthyl)-3-[(3-isopropoxypropyl)(tétrahydro-3-furanylcarbonyl)amino]-6-méthoxy-3,4,4a,9b-tétrahydrodibenzo[b,d]furane-1-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 805.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.8±3.0 kJ/mol
Flash Point: 441.0±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 141.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -1.24
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.80
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.80
Polar Surface Area: 147 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 411.0±5.0 cm3

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