ChemSpider 2D Image | 3,4,6-Tri-O-benzyl-1,2-dideoxy-5-O-[(2E)-3-phenyl-2-propenoyl]-D-arabino-hex-1-enitol | C36H36O5

3,4,6-Tri-O-benzyl-1,2-dideoxy-5-O-[(2E)-3-phenyl-2-propenoyl]-D-arabino-hex-1-enitol

  • Molecular FormulaC36H36O5
  • Average mass548.668 Da
  • Monoisotopic mass548.256287 Da
  • ChemSpider ID8968030

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3,4,6-Tri-O-benzyl-1,2-dideoxy-5-O-[(2E)-3-phenyl-2-propenoyl]-D-arabino-hex-1-enitol [ACD/IUPAC Name]
3,4,6-Tri-O-benzyl-1,2-didesoxy-5-O-[(2E)-3-phenyl-2-propenoyl]-D-arabino-hex-1-enitol [German] [ACD/IUPAC Name]
3,4,6-Tri-O-benzyl-1,2-didésoxy-5-O-[(2E)-3-phényl-2-propenoyl]-D-arabino-hex-1-énitol [French] [ACD/IUPAC Name]
D-arabino-Hex-1-enitol, 1,2-dideoxy-5-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-3,4,6-tris-O-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 671.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 278.3±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 163.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 9.63
ACD/LogD (pH 5.5): 8.19
ACD/BCF (pH 5.5): 982713.38
ACD/KOC (pH 5.5): 677559.44
ACD/LogD (pH 7.4): 8.19
ACD/BCF (pH 7.4): 982713.38
ACD/KOC (pH 7.4): 677559.44
Polar Surface Area: 54 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 479.9±3.0 cm3

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