ChemSpider 2D Image | 1,5-Anhydro-3,4,6-tri-O-benzyl-2-deoxy-1-[(E)-2-(3-hydroxyphenyl)vinyl]-D-arabino-hex-1-enitol | C35H34O5

1,5-Anhydro-3,4,6-tri-O-benzyl-2-deoxy-1-[(E)-2-(3-hydroxyphenyl)vinyl]-D-arabino-hex-1-enitol

  • Molecular FormulaC35H34O5
  • Average mass534.641 Da
  • Monoisotopic mass534.240601 Da
  • ChemSpider ID75548045

  • 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

1,5-Anhydro-3,4,6-tri-O-benzyl-2-deoxy-1-[(E)-2-(3-hydroxyphenyl)vinyl]-D-arabino-hex-1-enitol [ACD/IUPAC Name]
1,5-Anhydro-3,4,6-tri-O-benzyl-2-desoxy-1-[(E)-2-(3-hydroxyphenyl)vinyl]-D-arabino-hex-1-enitol [German] [ACD/IUPAC Name]
1,5-Anhydro-3,4,6-tri-O-benzyl-2-désoxy-1-[(E)-2-(3-hydroxyphényl)vinyl]-D-arabino-hex-1-énitol [French] [ACD/IUPAC Name]
D-arabino-Octa-1,3-dienitol, 3,7-anhydro-1,2,4-trideoxy-1-(3-hydroxyphenyl)-5,6,8-tris-O-(phenylmethyl)-, (1E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 696.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 374.8±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 157.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 79047.95
ACD/KOC (pH 5.5): 111553.93
ACD/LogD (pH 7.4): 6.75
ACD/BCF (pH 7.4): 78774.94
ACD/KOC (pH 7.4): 111168.66
Polar Surface Area: 57 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 437.4±5.0 cm3

Click to predict properties on the Chemicalize site


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