ChemSpider 2D Image | 7-Hydroxy-2-oxo-2H-chromen-6-yl beta-D-mannopyranoside | C15H16O9

7-Hydroxy-2-oxo-2H-chromen-6-yl β-D-mannopyranoside

  • Molecular FormulaC15H16O9
  • Average mass340.282 Da
  • Monoisotopic mass340.079437 Da
  • ChemSpider ID29314892

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 7-hydroxy-6-(β-D-mannopyranosyloxy)- [ACD/Index Name]
7-Hydroxy-2-oxo-2H-chromen-6-yl β-D-mannopyranoside [ACD/IUPAC Name]
7-Hydroxy-2-oxo-2H-chromen-6-yl-β-D-mannopyranosid [German] [ACD/IUPAC Name]
β-D-Mannopyranoside de 7-hydroxy-2-oxo-2H-chromén-6-yle [French] [ACD/IUPAC Name]
Aesculin (Esculin)
Esculin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 697.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 262.8±25.0 °C
Index of Refraction: 1.689
Molar Refractivity: 77.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.52
ACD/LogD (pH 5.5): -1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.10
ACD/LogD (pH 7.4): -1.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.21
Polar Surface Area: 146 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 92.6±3.0 dyne/cm
Molar Volume: 202.6±3.0 cm3

Click to predict properties on the Chemicalize site


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