ChemSpider 2D Image | (3S,6S)-3-Benzyl-3-hydroxy-6-isobutyl-6-methoxy-2,5-piperazinedione | C16H22N2O4

(3S,6S)-3-Benzyl-3-hydroxy-6-isobutyl-6-methoxy-2,5-piperazinedione

  • Molecular FormulaC16H22N2O4
  • Average mass306.357 Da
  • Monoisotopic mass306.157959 Da
  • ChemSpider ID28288962

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S,6S)-3-Benzyl-3-hydroxy-6-isobutyl-6-methoxy-2,5-piperazindion [German] [ACD/IUPAC Name]
(3S,6S)-3-Benzyl-3-hydroxy-6-isobutyl-6-methoxy-2,5-piperazinedione [ACD/IUPAC Name]
(3S,6S)-3-Benzyl-3-hydroxy-6-isobutyl-6-méthoxy-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 3-hydroxy-6-methoxy-6-(2-methylpropyl)-3-(phenylmethyl)-, (3S,6S)- [ACD/Index Name]
lepistamide A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 573.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 300.4±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 81.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.18
ACD/KOC (pH 5.5): 128.15
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.17
ACD/KOC (pH 7.4): 127.96
Polar Surface Area: 88 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 249.6±5.0 cm3

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