ChemSpider 2D Image | 4-(7-Hydroxy-5-methoxy-4-oxo-3,4-dihydro-2H-chromen-2-yl)phenyl beta-D-threo-hexopyranoside | C22H24O10

4-(7-Hydroxy-5-methoxy-4-oxo-3,4-dihydro-2H-chromen-2-yl)phenyl β-D-threo-hexopyranoside

  • Molecular FormulaC22H24O10
  • Average mass448.420 Da
  • Monoisotopic mass448.136932 Da
  • ChemSpider ID24846546
  • defined stereocentres - 3 of 6 defined stereocentres


More details:






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

4-(7-Hydroxy-5-methoxy-4-oxo-3,4-dihydro-2H-chromen-2-yl)phenyl β-D-threo-hexopyranoside [ACD/IUPAC Name]
4-(7-Hydroxy-5-methoxy-4-oxo-3,4-dihydro-2H-chromen-2-yl)phenyl-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[4-(β-D-threo-hexopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy-5-methoxy- [ACD/Index Name]
β-D-thréo-Hexopyranoside de 4-(7-hydroxy-5-méthoxy-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

Density: 1.5±0.1 g/cm3
Boiling Point: 787.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.2±3.0 kJ/mol
Flash Point: 276.4±26.4 °C
Index of Refraction: 1.653
Molar Refractivity: 108.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 46.70
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.06
Polar Surface Area: 155 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 73.6±3.0 dyne/cm
Molar Volume: 297.5±3.0 cm3

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