Found 2 results

Search term: FLROYCKIIJCTDY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-Hydroxy-2-(hydroxymethyl)phenyl 6-O-benzoyl-alpha-D-mannopyranoside | C20H22O9

4-Hydroxy-2-(hydroxymethyl)phenyl 6-O-benzoyl-α-D-mannopyranoside

  • Molecular FormulaC20H22O9
  • Average mass406.383 Da
  • Monoisotopic mass406.126373 Da
  • ChemSpider ID113612141

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-Hydroxy-2-(hydroxymethyl)phenyl 6-O-benzoyl-α-D-mannopyranoside [ACD/IUPAC Name]
4-Hydroxy-2-(hydroxymethyl)phenyl-6-O-benzoyl-α-D-mannopyranosid [German] [ACD/IUPAC Name]
6-O-Benzoyl-α-D-mannopyranoside de 4-hydroxy-2-(hydroxyméthyl)phényle [French] [ACD/IUPAC Name]
α-D-Mannopyranoside, 4-hydroxy-2-(hydroxymethyl)phenyl, 6-benzoate [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 677.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 241.0±25.0 °C
Index of Refraction: 1.653
Molar Refractivity: 100.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.77
ACD/KOC (pH 5.5): 52.33
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.76
ACD/KOC (pH 7.4): 52.18
Polar Surface Area: 146 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 69.3±3.0 dyne/cm
Molar Volume: 273.5±3.0 cm3

Click to predict properties on the Chemicalize site


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