ChemSpider 2D Image | Berkeleyamide A | C18H25NO3

Berkeleyamide A

  • Molecular FormulaC18H25NO3
  • Average mass303.396 Da
  • Monoisotopic mass303.183441 Da
  • ChemSpider ID24693545
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3R,5S)-3-[(1S)-1-Hydroxy-3-oxo-4-phenylbutyl]-5-isobutyl-2-pyrrolidinon [German] [ACD/IUPAC Name]
(3R,5S)-3-[(1S)-1-Hydroxy-3-oxo-4-phenylbutyl]-5-isobutyl-2-pyrrolidinone [ACD/IUPAC Name]
(3R,5S)-3-[(1S)-1-Hydroxy-3-oxo-4-phénylbutyl]-5-isobutyl-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 3-[(1S)-1-hydroxy-3-oxo-4-phenylbutyl]-5-(2-methylpropyl)-, (3R,5S)- [ACD/Index Name]
Berkeleyamide A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 511.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 262.9±23.2 °C
Index of Refraction: 1.528
Molar Refractivity: 85.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.53
ACD/KOC (pH 5.5): 292.13
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.53
ACD/KOC (pH 7.4): 292.13
Polar Surface Area: 66 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 276.2±3.0 cm3

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