ChemSpider 2D Image | (9aS)-8-Acetyl-N-[(2-ethyl-4-fluoro-1-naphthyl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide | C30H26FNO7

(9aS)-8-Acetyl-N-[(2-ethyl-4-fluoro-1-naphthyl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide

  • Molecular FormulaC30H26FNO7
  • Average mass531.528 Da
  • Monoisotopic mass531.169312 Da
  • ChemSpider ID17223883
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(9aS)-8-Acetyl-N-[(2-ethyl-4-fluor-1-naphthyl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamid [German] [ACD/IUPAC Name]
(9aS)-8-Acetyl-N-[(2-ethyl-4-fluoro-1-naphthyl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide [ACD/IUPAC Name]
(9aS)-8-Acétyl-N-[(2-éthyl-4-fluoro-1-naphtyl)méthyl]-1,7-dihydroxy-3-méthoxy-9a-méthyl-9-oxo-9,9a-dihydrodibenzo[b,d]furane-4-carboxamide [French] [ACD/IUPAC Name]
(9as)-8-Acetyl-N-[(2-Ethyl-4-Fluoronaphthalen-1-Yl)methyl]-1,7-Dihydroxy-3-Methoxy-9a-Methyl-9-Oxo-9,9a-Dihydrodibenzo[b,D]furan-4-Carboxamide
4-Dibenzofurancarboxamide, 8-acetyl-N-[(2-ethyl-4-fluoro-1-naphthalenyl)methyl]-9,9a-dihydro-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-, (9aS)- [ACD/Index Name]
FCM

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 705.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 380.3±32.9 °C
Index of Refraction: 1.686
Molar Refractivity: 139.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 39.26
ACD/KOC (pH 5.5): 237.69
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.33
Polar Surface Area: 122 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 70.2±5.0 dyne/cm
Molar Volume: 366.8±5.0 cm3

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