ChemSpider 2D Image | (3R,4S,4aS,9bS)-3-[(1,3-Benzodioxol-5-ylmethyl)(bicyclo[2.2.1]hept-2-ylacetyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide | C34H40N2O9

(3R,4S,4aS,9bS)-3-[(1,3-Benzodioxol-5-ylmethyl)(bicyclo[2.2.1]hept-2-ylacetyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide

  • Molecular FormulaC34H40N2O9
  • Average mass620.689 Da
  • Monoisotopic mass620.273376 Da
  • ChemSpider ID5099041

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

(3R,4S,4aS,9bS)-3-[(1,3-Benzodioxol-5-ylmethyl)(bicyclo[2.2.1]hept-2-ylacetyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamid [German] [ACD/IUPAC Name]
(3R,4S,4aS,9bS)-3-[(1,3-Benzodioxol-5-ylmethyl)(bicyclo[2.2.1]hept-2-ylacetyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide [ACD/IUPAC Name]
(3R,4S,4aS,9bS)-3-{(1,3-Benzodioxol-5-ylméthyl)[2-(bicyclo[2.2.1]hept-2-yl)acétyl]amino}-4-hydroxy-N-(2-hydroxyéthyl)-8-(hydroxyméthyl)-6-méthoxy-3,4,4a,9b-tétrahydrodibenzo[b,d]furane-1-carboxamide [French] [ACD/IUPAC Name]
1-Dibenzofurancarboxamide, 3-[(1,3-benzodioxol-5-ylmethyl)(2-bicyclo[2.2.1]hept-2-ylacetyl)amino]-3,4,4a,9b-tetrahydro-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-, (3R,4S,4aS,9bS)- [ACD/Index Name]
DDS1_005408
SAH1_005333

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

Density: 1.4±0.1 g/cm3
Boiling Point: 884.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.6±3.0 kJ/mol
Flash Point: 488.5±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 162.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.44
ACD/KOC (pH 5.5): 269.34
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.44
ACD/KOC (pH 7.4): 269.34
Polar Surface Area: 147 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 75.1±5.0 dyne/cm
Molar Volume: 431.2±5.0 cm3

Click to predict properties on the Chemicalize site


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