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

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

  • Molecular FormulaC33H40N2O9
  • Average mass608.679 Da
  • Monoisotopic mass608.273376 Da
  • ChemSpider ID3297383

More details:






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

1-Dibenzofurancarboxamide, 3-[(1,3-benzodioxol-5-ylmethyl)(1-oxooctyl)amino]-8-formyl-3,4,4a,9b-tetrahydro-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy- [ACD/Index Name]
3-[(1,3-Benzodioxol-5-ylmethyl)(octanoyl)amino]-8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamid [German] [ACD/IUPAC Name]
3-[(1,3-Benzodioxol-5-ylmethyl)(octanoyl)amino]-8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide [ACD/IUPAC Name]
3-[(1,3-Benzodioxol-5-ylméthyl)(octanoyl)amino]-8-formyl-4-hydroxy-N-(2-hydroxyéthyl)-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: 847.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.0±3.0 kJ/mol
Flash Point: 466.1±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 160.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 313.88
ACD/KOC (pH 5.5): 2132.02
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 313.88
ACD/KOC (pH 7.4): 2132.02
Polar Surface Area: 144 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 66.4±5.0 dyne/cm
Molar Volume: 450.7±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement