Found 2 results

Search term: YALCGCHVWZLREG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3,5-Dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl beta-L-glucopyranoside | C22H26O11

3,5-Dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl β-L-glucopyranoside

  • Molecular FormulaC22H26O11
  • Average mass466.435 Da
  • Monoisotopic mass466.147522 Da
  • ChemSpider ID114974140

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Propanone, 1-[4-(β-L-glucopyranosyloxy)-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)- [ACD/Index Name]
3,5-Dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl β-L-glucopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
β-L-Glucopyranoside de 3,5-dihydroxy-4-[3-(3-hydroxy-4-méthoxyphényl)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: 798.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.8±3.0 kJ/mol
Flash Point: 276.9±26.4 °C
Index of Refraction: 1.668
Molar Refractivity: 113.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.93
ACD/KOC (pH 5.5): 54.95
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.28
Polar Surface Area: 186 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 74.9±3.0 dyne/cm
Molar Volume: 304.5±3.0 cm3

Click to predict properties on the Chemicalize site


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