ChemSpider 2D Image | 1-Allyl-3-[(1S,2S,3S,4R,5R)-4-{[2-(dimethylamino)ethyl](methyl)amino}-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea | C15H28N4O4

1-Allyl-3-[(1S,2S,3S,4R,5R)-4-{[2-(dimethylamino)ethyl](methyl)amino}-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea

  • Molecular FormulaC15H28N4O4
  • Average mass328.407 Da
  • Monoisotopic mass328.211060 Da
  • ChemSpider ID22806595
  • 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)-4-{[2-(dimethylamino)ethyl](methyl)amino}-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]harnstoff [German] [ACD/IUPAC Name]
1-Allyl-3-[(1S,2S,3S,4R,5R)-4-{[2-(dimethylamino)ethyl](methyl)amino}-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea [ACD/IUPAC Name]
1-Allyl-3-[(1S,2S,3S,4R,5R)-4-{[2-(diméthylamino)éthyl](méthyl)amino}-3-hydroxy-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

Density: 1.2±0.1 g/cm3
Boiling Point: 538.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 93.8±6.0 kJ/mol
Flash Point: 279.6±30.1 °C
Index of Refraction: 1.556
Molar Refractivity: 87.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.60
ACD/LogD (pH 5.5): -2.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 86 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 271.7±5.0 cm3

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