ChemSpider 2D Image | (2R)-{[2-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}(phenyl)acetonitrile | C20H27NO11

(2R)-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}(phenyl)acetonitrile

  • Molecular FormulaC20H27NO11
  • Average mass457.428 Da
  • Monoisotopic mass457.158417 Da
  • ChemSpider ID58828598

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2R)-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}(phenyl)acetonitril [German] [ACD/IUPAC Name]
(2R)-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}(phenyl)acetonitrile [ACD/IUPAC Name]
(2R)-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}(phényl)acétonitrile [French] [ACD/IUPAC Name]
99520-78-2 [RN]
Benzeneacetonitrile, α-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-, (αR)- [ACD/Index Name]
EUCALYPTOSIN A
UNII:3J363KK66E

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

Density: 1.6±0.1 g/cm3
Boiling Point: 747.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 405.7±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 104.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.96
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.96
Polar Surface Area: 202 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 92.9±5.0 dyne/cm
Molar Volume: 287.6±5.0 cm3

Click to predict properties on the Chemicalize site


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