Found 2 results

Search term: CPVCVIXCXKPURM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | aspernigrin B | C27H24N2O5

aspernigrin B

  • Molecular FormulaC27H24N2O5
  • Average mass456.490 Da
  • Monoisotopic mass456.168518 Da
  • ChemSpider ID58827508

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,4-Dihydro-1-[(1S)-1-(4-methoxy-2-oxo-2H-pyran-6-yl)-2-phenylethyl]-4-oxo-6-(phenylmethyl)-3-pyridinecarboxamide
3-Pyridinecarboxamide, 1,4-dihydro-1-[(1S)-1-(4-methoxy-2-oxo-2H-pyran-6-yl)-2-phenylethyl]-4-oxo-6-(phenylmethyl)- [ACD/Index Name]
6-Benzyl-1-[(1S)-1-(4-methoxy-2-oxo-2H-pyran-6-yl)-2-phenylethyl]-4-oxo-1,4-dihydro-3-pyridincarboxamid [German] [ACD/IUPAC Name]
6-Benzyl-1-[(1S)-1-(4-methoxy-2-oxo-2H-pyran-6-yl)-2-phenylethyl]-4-oxo-1,4-dihydro-3-pyridinecarboxamide [ACD/IUPAC Name]
6-Benzyl-1-[(1S)-1-(4-méthoxy-2-oxo-2H-pyran-6-yl)-2-phényléthyl]-4-oxo-1,4-dihydro-3-pyridinecarboxamide [French] [ACD/IUPAC Name]
773855-63-3 [RN]
aspernigrin B
6-benzyl-1-[(1S)-1-(4-methoxy-2-oxo-2H-pyran-6-yl)-2-phenylethyl]-4-oxo-1,4-dihydropyridine-3-carboxamide
  • Miscellaneous

    • Chemical Class:

      A pyridine alkaloid with formula C<smallsub>27</smallsub>H<smallsub>24</smallsub>N<smallsub>2</smallsub>O<smallsub>5</smallsub> that is isolated from <ital>Aspergillus niger</ital> and displays neurop rotective protperties. ChEBI CHEBI:133847
      A pyridine alkaloid with formula C27H24N2O5 that is isolated from Aspergillus niger and displays neurop; rotective protperties. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:133847
      A pyridine alkaloid with formula C27H24N2O5 that is isolated from Aspergillus niger and displays neuroprotective protperties. ChEBI CHEBI:133847

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

Density: 1.3±0.1 g/cm3
Boiling Point: 735.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 398.9±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 126.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.95
ACD/KOC (pH 5.5): 636.18
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.95
ACD/KOC (pH 7.4): 636.24
Polar Surface Area: 99 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 342.7±5.0 cm3

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