ChemSpider 2D Image | 3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl 6-deoxy-alpha-L-erythro-hexopyranoside | C21H24O9

3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl 6-deoxy-α-L-erythro-hexopyranoside

  • Molecular FormulaC21H24O9
  • Average mass420.410 Da
  • Monoisotopic mass420.142029 Da
  • ChemSpider ID24846090

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

1-Propanone, 1-[2-[(6-deoxy-α-L-erythro-hexopyranosyl)oxy]-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)- [ACD/Index Name]
3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl 6-deoxy-α-L-erythro-hexopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl-6-desoxy-α-L-erythro-hexopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-érythro-hexopyranoside de 3,5-dihydroxy-2-[3-(4-hydroxyphényl)propanoyl]phényle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 716.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 252.4±26.4 °C
Index of Refraction: 1.669
Molar Refractivity: 105.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.31
ACD/KOC (pH 5.5): 231.40
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 3.62
ACD/KOC (pH 7.4): 58.59
Polar Surface Area: 157 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 70.7±3.0 dyne/cm
Molar Volume: 282.0±3.0 cm3

Click to predict properties on the Chemicalize site


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