ChemSpider 2D Image | (3R,4S,4aS,9bS)-3-[(3-Cyclopentylpropanoyl)(2-fluorobenzyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide | C30H35FN2O5

(3R,4S,4aS,9bS)-3-[(3-Cyclopentylpropanoyl)(2-fluorobenzyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide

  • Molecular FormulaC30H35FN2O5
  • Average mass522.608 Da
  • Monoisotopic mass522.252991 Da
  • ChemSpider ID5150503

  • 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-fluorbenzyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamid [German] [ACD/IUPAC Name]
(3R,4S,4aS,9bS)-3-[(3-Cyclopentylpropanoyl)(2-fluorobenzyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide [ACD/IUPAC Name]
(3R,4S,4aS,9bS)-3-[(3-Cyclopentylpropanoyl)(2-fluorobenzyl)amino]-4-hydroxy-N-(2-hydroxyéthyl)-3,4,4a,9b-tétrahydrodibenzo[b,d]furane-1-carboxamide [French] [ACD/IUPAC Name]
1-Dibenzofurancarboxamide, 3-[(3-cyclopentyl-1-oxopropyl)[(2-fluorophenyl)methyl]amino]-3,4,4a,9b-tetrahydro-4-hydroxy-N-(2-hydroxyethyl)-, (3R,4S,4aS,9bS)- [ACD/Index Name]
SAH1_001555

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

Density: 1.3±0.1 g/cm3
Boiling Point: 767.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 417.9±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 140.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 257.35
ACD/KOC (pH 5.5): 1849.54
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 257.35
ACD/KOC (pH 7.4): 1849.53
Polar Surface Area: 99 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 394.7±5.0 cm3

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