ChemSpider 2D Image | {[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}(4-hydroxyphenyl)acetonitrile | C20H27NO11

{[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}(4-hydroxyphenyl)acetonitrile

  • Molecular FormulaC20H27NO11
  • Average mass457.428 Da
  • Monoisotopic mass457.158417 Da
  • ChemSpider ID29814239

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

{[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}(4-hydroxyphenyl)acetonitrile [ACD/IUPAC Name]
{[2-O-(6-Desoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}(4-hydroxyphenyl)acetonitril [German] [ACD/IUPAC Name]
{[2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}(4-hydroxyphényl)acétonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, α-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-4-hydroxy- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 745.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 404.5±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 104.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.00
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.55
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.26
Polar Surface Area: 202 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 92.8±5.0 dyne/cm
Molar Volume: 287.2±5.0 cm3

Click to predict properties on the Chemicalize site


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