ChemSpider 2D Image | 3,5-Dihydroxy-2-[3-(4-methoxyphenyl)propanoyl]phenyl beta-D-glucopyranoside | C22H26O10

3,5-Dihydroxy-2-[3-(4-methoxyphenyl)propanoyl]phenyl β-D-glucopyranoside

  • Molecular FormulaC22H26O10
  • Average mass450.436 Da
  • Monoisotopic mass450.152588 Da
  • ChemSpider ID22913622
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

1-Propanone, 1-[2-(β-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-methoxyphenyl)- [ACD/Index Name]
3,5-Dihydroxy-2-[3-(4-methoxyphenyl)propanoyl]phenyl β-D-glucopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-2-[3-(4-methoxyphenyl)propanoyl]phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 3,5-dihydroxy-2-[3-(4-méthoxyphényl)propanoyl]phényle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 737.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 256.2±26.4 °C
Index of Refraction: 1.649
Molar Refractivity: 111.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.70
ACD/KOC (pH 5.5): 88.00
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.58
Polar Surface Area: 166 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 68.6±3.0 dyne/cm
Molar Volume: 306.1±3.0 cm3

Click to predict properties on the Chemicalize site






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