ChemSpider 2D Image | 1-[(1S,2S,3S,4R,5R)-4-(4-Acetyl-1-piperazinyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-ethylurea | C15H26N4O5

1-[(1S,2S,3S,4R,5R)-4-(4-Acetyl-1-piperazinyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-ethylurea

  • Molecular FormulaC15H26N4O5
  • Average mass342.391 Da
  • Monoisotopic mass342.190308 Da
  • ChemSpider ID21385862

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-[(1S,2S,3S,4R,5R)-4-(4-Acetyl-1-piperazinyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-ethylharnstoff [German] [ACD/IUPAC Name]
1-[(1S,2S,3S,4R,5R)-4-(4-Acetyl-1-piperazinyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-ethylurea [ACD/IUPAC Name]
1-[(1S,2S,3S,4R,5R)-4-(4-Acétyl-1-pipérazinyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-éthylurée [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 637.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±6.0 kJ/mol
Flash Point: 339.4±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 85.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.67
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.51
Polar Surface Area: 103 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 254.5±5.0 cm3

Click to predict properties on the Chemicalize site


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