ChemSpider 2D Image | 4-Chlorophenyl (7S,9aR)-7-[(1R)-1-hydroxyethyl]-6,9-dioxooctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxylate | C16H18ClN3O5

4-Chlorophenyl (7S,9aR)-7-[(1R)-1-hydroxyethyl]-6,9-dioxooctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxylate

  • Molecular FormulaC16H18ClN3O5
  • Average mass367.784 Da
  • Monoisotopic mass367.093506 Da
  • ChemSpider ID29421678

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(7S,9aR)-7-[(1R)-1-Hydroxyéthyl]-6,9-dioxooctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxylate de 4-chlorophényle [French] [ACD/IUPAC Name]
2H-Pyrazino[1,2-a]pyrazine-2-carboxylic acid, octahydro-7-[(1R)-1-hydroxyethyl]-6,9-dioxo-, 4-chlorophenyl ester, (7S,9aR)- [ACD/Index Name]
4-Chlorophenyl (7S,9aR)-7-[(1R)-1-hydroxyethyl]-6,9-dioxooctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxylate [ACD/IUPAC Name]
4-Chlorphenyl-(7S,9aR)-7-[(1R)-1-hydroxyethyl]-6,9-dioxooctahydro-2H-pyrazino[1,2-a]pyrazin-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 653.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 348.9±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 88.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.21
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.36
ACD/KOC (pH 5.5): 43.26
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 43.26
Polar Surface Area: 99 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 244.2±5.0 cm3

Click to predict properties on the Chemicalize site


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