ChemSpider 2D Image | 4-[(2S)-7-Hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl alpha-D-mannopyranoside | C21H22O9

4-[(2S)-7-Hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl α-D-mannopyranoside

  • Molecular FormulaC21H22O9
  • Average mass418.394 Da
  • Monoisotopic mass418.126373 Da
  • ChemSpider ID114392139

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

4-[(2S)-7-Hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl α-D-mannopyranoside [ACD/IUPAC Name]
4-[(2S)-7-Hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl-α-D-mannopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-[4-(α-D-mannopyranosyloxy)phenyl]-, (2S)- [ACD/Index Name]
α-D-Mannopyranoside de 4-[(2S)-7-hydroxy-4-oxo-3,4-dihydro-2H-chromén-2-yl]phényle [French] [ACD/IUPAC 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: 746.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 265.9±26.4 °C
Index of Refraction: 1.670
Molar Refractivity: 102.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 42.49
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.40
Polar Surface Area: 146 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 78.0±3.0 dyne/cm
Molar Volume: 273.5±3.0 cm3

Click to predict properties on the Chemicalize site


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