ChemSpider 2D Image | (9aS)-8-Acetyl-N-[(2-ethyl-1-naphthyl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide | C30H27NO7

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

  • Molecular FormulaC30H27NO7
  • Average mass513.538 Da
  • Monoisotopic mass513.178772 Da
  • ChemSpider ID17225741

  • 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-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-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-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-Ethylnaphthalen-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-1-naphthalenyl)methyl]-9,9a-dihydro-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-, (9aS)- [ACD/Index Name]
KRC

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

Density: 1.4±0.1 g/cm3
Boiling Point: 706.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 381.1±32.9 °C
Index of Refraction: 1.696
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 39.20
ACD/KOC (pH 5.5): 237.60
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.41
Polar Surface Area: 122 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 362.4±5.0 cm3

Click to predict properties on the Chemicalize site


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