ChemSpider 2D Image | 3-(4-{[3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}phenyl)-4-oxo-4H-chromen-7-yl hexopyranoside | C26H28O13

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

  • Molecular FormulaC26H28O13
  • Average mass548.493 Da
  • Monoisotopic mass548.153015 Da
  • ChemSpider ID159934

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)-4-oxo-4H-chromen-7-yl hexopyranoside [ACD/IUPAC Name]
3-(4-{[3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}phenyl)-4-oxo-4H-chromen-7-ylhexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-(hexopyranosyloxy)-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)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
108069-01-8 [RN]
4H-1-BENZOPYRAN-4-ONE,3-[4-(D-APIO-B-D-FURANOSYLOXY)PHENYL]-7-(B-D-GLUCOPYRANOSYLOXY)- (9CI)
Neobanin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 877.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.6±3.0 kJ/mol
Flash Point: 296.0±27.8 °C
Index of Refraction: 1.693
Molar Refractivity: 129.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.91
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.89
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.89
Polar Surface Area: 205 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 89.3±3.0 dyne/cm
Molar Volume: 337.1±3.0 cm3

Click to predict properties on the Chemicalize site


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