ChemSpider 2D Image | (3S,6S)-3-Benzyl-6-[(1R)-1-hydroxyethyl]-2,5-piperazinedione | C13H16N2O3

(3S,6S)-3-Benzyl-6-[(1R)-1-hydroxyethyl]-2,5-piperazinedione

  • Molecular FormulaC13H16N2O3
  • Average mass248.278 Da
  • Monoisotopic mass248.116089 Da
  • ChemSpider ID35516650

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3S,6S)-3-Benzyl-6-[(1R)-1-hydroxyethyl]-2,5-piperazindion [German] [ACD/IUPAC Name]
(3S,6S)-3-Benzyl-6-[(1R)-1-hydroxyethyl]-2,5-piperazinedione [ACD/IUPAC Name]
(3S,6S)-3-Benzyl-6-[(1R)-1-hydroxyéthyl]-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 3-[(1R)-1-hydroxyethyl]-6-(phenylmethyl)-, (3S,6S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 581.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.4±25.9 °C
Index of Refraction: 1.557
Molar Refractivity: 65.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.60
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.08
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.08
Polar Surface Area: 78 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 202.9±3.0 cm3

Click to predict properties on the Chemicalize site


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