ChemSpider 2D Image | (3xi)-N-[4-(Ethoxycarbonyl)phenyl]-beta-D-threo-hex-2-ulofuranosylamine | C15H21NO7

(3ξ)-N-[4-(Ethoxycarbonyl)phenyl]-β-D-threo-hex-2-ulofuranosylamine

  • Molecular FormulaC15H21NO7
  • Average mass327.330 Da
  • Monoisotopic mass327.131805 Da
  • ChemSpider ID57546367

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3ξ)-N-[4-(Ethoxycarbonyl)phenyl]-β-D-threo-hex-2-ulofuranosylamin [German] [ACD/IUPAC Name]
(3ξ)-N-[4-(Ethoxycarbonyl)phenyl]-β-D-threo-hex-2-ulofuranosylamine [ACD/IUPAC Name]
(3ξ)-N-[4-(Éthoxycarbonyl)phényl]-β-D-thréo-hex-2-ulofuranosylamine [French] [ACD/IUPAC Name]
β-D-threo-2-Hexulofuranosylamine, N-[4-(ethoxycarbonyl)phenyl]-, (3ξ)- [ACD/Index Name]
78306-17-9 [RN]
Benzocaine N-D-Fructoside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 596.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 314.4±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 81.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.30
ACD/KOC (pH 5.5): 63.25
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 2.30
ACD/KOC (pH 7.4): 63.25
Polar Surface Area: 128 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 70.6±3.0 dyne/cm
Molar Volume: 228.6±3.0 cm3

Click to predict properties on the Chemicalize site


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