ChemSpider 2D Image | 3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl 2-O-beta-D-xylofuranosyl-beta-D-galactopyranoside | C26H32O14

3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl 2-O-β-D-xylofuranosyl-β-D-galactopyranoside

  • Molecular FormulaC26H32O14
  • Average mass568.524 Da
  • Monoisotopic mass568.179199 Da
  • ChemSpider ID30776749

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

1-Propanone, 1-[2,4-dihydroxy-6-[(2-O-β-D-xylofuranosyl-β-D-galactopyranosyl)oxy]phenyl]-3-(4-hydroxyphenyl)- [ACD/Index Name]
2-O-β-D-Xylofuranosyl-β-D-galactopyranoside de 3,5-dihydroxy-2-[3-(4-hydroxyphényl)propanoyl]phényle [French] [ACD/IUPAC Name]
3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl 2-O-β-D-xylofuranosyl-β-D-galactopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl-2-O-β-D-xylofuranosyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
1-(2-{[(2S,3R,4S,5R,6R)-3-{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
Phloretin xylosyl-galactoside

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

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

Density: 1.7±0.1 g/cm3
Boiling Point: 929.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.6±3.0 kJ/mol
Flash Point: 309.6±27.8 °C
Index of Refraction: 1.709
Molar Refractivity: 132.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 47.94
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.49
Polar Surface Area: 236 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 106.3±5.0 dyne/cm
Molar Volume: 340.6±5.0 cm3

Click to predict properties on the Chemicalize site


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