ChemSpider 2D Image | (3R,4S,4aS,9bS)-4-Hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-3-[(3-isopropoxypropyl)(methoxyacetyl)amino]-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide | C26H38N2O9

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

  • Molecular FormulaC26H38N2O9
  • Average mass522.588 Da
  • Monoisotopic mass522.257751 Da
  • ChemSpider ID5153676

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,4S,4aS,9bS)-4-Hydroxy-N-(2-hydroxyéthyl)-8-(hydroxyméthyl)-3-[(3-isopropoxypropyl)(2-méthoxyacétyl)amino]-6-méthoxy-3,4,4a,9b-tétrahydrodibenzo[b,d]furane-1-carboxamide [French] [ACD/IUPAC Name]
(3R,4S,4aS,9bS)-4-Hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-3-[(3-isopropoxypropyl)(methoxyacetyl)amino]-6-methoxy-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)-3-[(3-isopropoxypropyl)(methoxyacetyl)amino]-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide [ACD/IUPAC Name]
1-Dibenzofurancarboxamide, 3,4,4a,9b-tetrahydro-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3-[(2-methoxyacetyl)[3-(1-methylethoxy)propyl]amino]-, (3R,4S,4aS,9bS)- [ACD/Index Name]
SAH1_004752

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

Density: 1.3±0.1 g/cm3
Boiling Point: 766.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 417.1±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 134.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: -1.14
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.77
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.77
Polar Surface Area: 147 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 397.1±5.0 cm3

Click to predict properties on the Chemicalize site


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