ChemSpider 2D Image | 1-Allyl-3-{(1S,2S,3S,4R,5R)-3-hydroxy-4-[(2-methoxyethyl)amino]-6,8-dioxabicyclo[3.2.1]oct-2-yl}urea | C13H23N3O5

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

  • Molecular FormulaC13H23N3O5
  • Average mass301.339 Da
  • Monoisotopic mass301.163757 Da
  • ChemSpider ID21385947

  • 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-[(2-methoxyethyl)amino]-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-[(2-methoxyethyl)amino]-6,8-dioxabicyclo[3.2.1]oct-2-yl}urea [ACD/IUPAC Name]
1-Allyl-3-{(1S,2S,3S,4R,5R)-3-hydroxy-4-[(2-méthoxyéthyl)amino]-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: 549.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.3±6.0 kJ/mol
Flash Point: 285.9±30.1 °C
Index of Refraction: 1.543
Molar Refractivity: 75.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.01
Polar Surface Area: 101 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 240.1±5.0 cm3

Click to predict properties on the Chemicalize site


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