Found 3 results

Search term: XHEKEYHCIIMZRR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-Hydroxy-2-methylphenyl alpha-D-mannopyranoside | C13H18O7

4-Hydroxy-2-methylphenyl α-D-mannopyranoside

  • Molecular FormulaC13H18O7
  • Average mass286.278 Da
  • Monoisotopic mass286.105255 Da
  • ChemSpider ID113608728

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-Hydroxy-2-methylphenyl α-D-mannopyranoside [ACD/IUPAC Name]
4-Hydroxy-2-methylphenyl-α-D-mannopyranosid [German] [ACD/IUPAC Name]
α-D-Mannopyranoside de 4-hydroxy-2-méthylphényle [French] [ACD/IUPAC Name]
α-D-Mannopyranoside, 4-hydroxy-2-methylphenyl [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: 560.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 292.7±30.1 °C
Index of Refraction: 1.637
Molar Refractivity: 68.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.41
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.39
Polar Surface Area: 120 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 68.4±3.0 dyne/cm
Molar Volume: 191.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement