ChemSpider 2D Image | (3R,4S,4aS,9bS)-4-Hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3-{(tetrahydro-2-furanylcarbonyl)[(2R)-tetrahydro-2-furanylmethyl]amino}-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide | C27H36N2O9

(3R,4S,4aS,9bS)-4-Hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3-{(tetrahydro-2-furanylcarbonyl)[(2R)-tetrahydro-2-furanylmethyl]amino}-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide

  • Molecular FormulaC27H36N2O9
  • Average mass532.583 Da
  • Monoisotopic mass532.242065 Da
  • ChemSpider ID5153802

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3R,4S,4aS,9bS)-4-Hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3-{(tetrahydro-2-furanylcarbonyl)[(2R)-tetrahydro-2-furanylmethyl]amino}-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamid [German] [ACD/IUPAC Name]
(3R,4S,4aS,9bS)-4-Hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3-{(tetrahydro-2-furanylcarbonyl)[(2R)-tetrahydro-2-furanylmethyl]amino}-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide [ACD/IUPAC Name]
(3R,4S,4aS,9bS)-4-Hydroxy-N-(2-hydroxyéthyl)-8-(hydroxyméthyl)-6-méthoxy-3-{(tétrahydro-2-furanylcarbonyl)[(2R)-tétrahydro-2-furanylméthyl]amino}-3,4,4a,9b-tétrahydrodibenzo[b,d]furane-1-carboxamide [French] [ACD/IUPAC Name]
1-Dibenzofurancarboxamide, 3,4,4a,9b-tetrahydro-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3-[[(tetrahydro-2-furanyl)carbonyl][[(2R)-tetrahydro-2-furanyl]methyl]amino]-, (3R,4S,4aS,9bS)- [ACD/Index Name]
SAH1_004882

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

Density: 1.4±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: 454.2±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 134.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.36
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.99
ACD/LogD (pH 7.4): -1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.99
Polar Surface Area: 147 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 70.7±5.0 dyne/cm
Molar Volume: 376.2±5.0 cm3

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