ChemSpider 2D Image | 4-[3-(3,4-Dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenyl beta-D-glucopyranoside | C21H24O11

4-[3-(3,4-Dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenyl β-D-glucopyranoside

  • Molecular FormulaC21H24O11
  • Average mass452.409 Da
  • Monoisotopic mass452.131866 Da
  • ChemSpider ID101935907

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Propanone, 3-(3,4-dihydroxyphenyl)-1-[4-(β-D-glucopyranosyloxy)-2,6-dihydroxyphenyl]- [ACD/Index Name]
4-[3-(3,4-Dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[3-(3,4-Dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 4-[3-(3,4-dihydroxyphényl)propanoyl]-3,5-dihydroxyphényle [French] [ACD/IUPAC Name]
18777-73-6 [RN]
3-(3,4-dihydroxyphenyl)-1-[2,6-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
Sieboldin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 832.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.8±3.0 kJ/mol
Flash Point: 291.6±27.8 °C
Index of Refraction: 1.707
Molar Refractivity: 108.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 40.99
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.27
Polar Surface Area: 197 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 88.0±3.0 dyne/cm
Molar Volume: 279.0±3.0 cm3

Click to predict properties on the Chemicalize site


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