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Search term: 24693937 (Found by CSID)
ChemSpider 2D Image | {5-[(3-Methylbutanoyl)carbamoyl]-4-oxo-4H-pyran-2-yl}(phenyl)methyl acetate | C20H21NO6

{5-[(3-Methylbutanoyl)carbamoyl]-4-oxo-4H-pyran-2-yl}(phenyl)methyl acetate

  • Molecular FormulaC20H21NO6
  • Average mass371.384 Da
  • Monoisotopic mass371.136902 Da
  • ChemSpider ID24693937

More details:

Featured data source
Natural Product Updates

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

{5-[(3-Methylbutanoyl)carbamoyl]-4-oxo-4H-pyran-2-yl}(phenyl)methyl acetate [ACD/IUPAC Name]
{5-[(3-Methylbutanoyl)carbamoyl]-4-oxo-4H-pyran-2-yl}(phenyl)methyl-acetat [German] [ACD/IUPAC Name]
4H-Pyran-3-carboxamide, 6-[(acetyloxy)phenylmethyl]-N-(3-methyl-1-oxobutyl)-4-oxo- [ACD/Index Name]
Acétate de {5-[(3-méthylbutanoyl)carbamoyl]-4-oxo-4H-pyran-2-yl}(phényl)méthyle [French] [ACD/IUPAC Name]
BERKELEYAMIDE B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL468640/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 566.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.7±30.1 °C
Index of Refraction: 1.559
Molar Refractivity: 95.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.32
ACD/KOC (pH 5.5): 286.96
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 5.39
ACD/KOC (pH 7.4): 80.04
Polar Surface Area: 99 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 295.7±3.0 cm3

Click to predict properties on the Chemicalize site


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