ChemSpider 2D Image | 1-Allyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-morpholinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea | C14H23N3O5

1-Allyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-morpholinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea

  • Molecular FormulaC14H23N3O5
  • Average mass313.349 Da
  • Monoisotopic mass313.163757 Da
  • ChemSpider ID21385986

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Allyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-morpholinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]harnstoff [German] [ACD/IUPAC Name]
1-Allyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-morpholinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea [ACD/IUPAC Name]
1-Allyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-morpholinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]urée [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: 569.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.1±6.0 kJ/mol
Flash Point: 298.1±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 78.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.02
ACD/LogD (pH 5.5): -1.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.53
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.92
Polar Surface Area: 92 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 236.4±5.0 cm3

Click to predict properties on the Chemicalize site


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