ChemSpider 2D Image | 3-[(1,3-Benzodioxol-5-ylmethyl)(3-cyclopentylpropanoyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide | C33H40N2O9

3-[(1,3-Benzodioxol-5-ylmethyl)(3-cyclopentylpropanoyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide

  • Molecular FormulaC33H40N2O9
  • Average mass608.679 Da
  • Monoisotopic mass608.273376 Da
  • ChemSpider ID2657178

More details:

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

1-Dibenzofurancarboxamide, 3-[(1,3-benzodioxol-5-ylmethyl)(3-cyclopentyl-1-oxopropyl)amino]-3,4,4a,9b-tetrahydro-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy- [ACD/Index Name]
3-[(1,3-Benzodioxol-5-ylmethyl)(3-cyclopentylpropanoyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamid [German] [ACD/IUPAC Name]
3-[(1,3-Benzodioxol-5-ylmethyl)(3-cyclopentylpropanoyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide [ACD/IUPAC Name]
3-[(1,3-Benzodioxol-5-ylméthyl)(3-cyclopentylpropanoyl)amino]-4-hydroxy-N-(2-hydroxyéthyl)-8-(hydroxyméthyl)-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: 1.4±0.1 g/cm3
Boiling Point: 873.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.9±3.0 kJ/mol
Flash Point: 481.8±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 159.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 21.93
ACD/KOC (pH 5.5): 317.32
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 21.93
ACD/KOC (pH 7.4): 317.32
Polar Surface Area: 147 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 72.6±5.0 dyne/cm
Molar Volume: 432.8±5.0 cm3

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