ChemSpider 2D Image | (3R,4S,4aS,9bS)-3-{(3-Cyclopentylpropanoyl)[2-(3-methoxyphenyl)ethyl]amino}-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide | C34H44N2O8

(3R,4S,4aS,9bS)-3-{(3-Cyclopentylpropanoyl)[2-(3-methoxyphenyl)ethyl]amino}-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide

  • Molecular FormulaC34H44N2O8
  • Average mass608.722 Da
  • Monoisotopic mass608.309753 Da
  • ChemSpider ID5154261
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(3R,4S,4aS,9bS)-3-{(3-Cyclopentylpropanoyl)[2-(3-methoxyphenyl)ethyl]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-{(3-Cyclopentylpropanoyl)[2-(3-methoxyphenyl)ethyl]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-{(3-Cyclopentylpropanoyl)[2-(3-méthoxyphényl)éthyl]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-[(3-cyclopentyl-1-oxopropyl)[2-(3-methoxyphenyl)ethyl]amino]-3,4,4a,9b-tetrahydro-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-, (3R,4S,4aS,9bS)- [ACD/Index Name]
SAH1_005365

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

Density: 1.3±0.1 g/cm3
Boiling Point: 859.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.9±3.0 kJ/mol
Flash Point: 473.9±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 164.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.31
ACD/KOC (pH 5.5): 623.31
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.31
ACD/KOC (pH 7.4): 623.31
Polar Surface Area: 138 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 65.4±5.0 dyne/cm
Molar Volume: 462.2±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement