ChemSpider 2D Image | 3-(4-{[3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}phenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl hexopyranoside | C26H28O14

3-(4-{[3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}phenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl hexopyranoside

  • Molecular FormulaC26H28O14
  • Average mass564.492 Da
  • Monoisotopic mass564.147888 Da
  • ChemSpider ID4590685

More details:

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

3-(4-{[3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}phenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl hexopyranoside [ACD/IUPAC Name]
3-(4-{[3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}phenyl)-5-hydroxy-4-oxo-4H-chromen-7-ylhexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-(hexopyranosyloxy)-5-hydroxy-3-[4-[[tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]oxy]phenyl]- [ACD/Index Name]
Hexopyranoside de 3-(4-{[3,4-dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]oxy}phényl)-5-hydroxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
108069-00-7 [RN]
Neobacin

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

Density: 1.7±0.1 g/cm3
Boiling Point: 931.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.0±3.0 kJ/mol
Flash Point: 313.2±27.8 °C
Index of Refraction: 1.711
Molar Refractivity: 131.2±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.57
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.93
ACD/LogD (pH 7.4): -2.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 225 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 96.5±3.0 dyne/cm
Molar Volume: 335.6±3.0 cm3

Click to predict properties on the Chemicalize site


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