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Search term: ZLUNTXLTCPGCFJ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-[3-(1-Benzofuran-5-yl)propanoyl]-3-hydroxy-5-methylphenyl 6-O-acetyl-beta-D-glucopyranoside | C26H28O10

2-[3-(1-Benzofuran-5-yl)propanoyl]-3-hydroxy-5-methylphenyl 6-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC26H28O10
  • Average mass500.495 Da
  • Monoisotopic mass500.168243 Da
  • ChemSpider ID8800558
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

1-Propanone, 1-[2-[(6-O-acetyl-β-D-glucopyranosyl)oxy]-6-hydroxy-4-methylphenyl]-3-(5-benzofuranyl)- [ACD/Index Name]
2-[3-(1-Benzofuran-5-yl)propanoyl]-3-hydroxy-5-methylphenyl 6-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
2-[3-(1-Benzofuran-5-yl)propanoyl]-3-hydroxy-5-methylphenyl-6-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-Acétyl-β-D-glucopyranoside de 2-[3-(1-benzofuran-5-yl)propanoyl]-3-hydroxy-5-méthylphényle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 724.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 391.8±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 127.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 125.76
ACD/KOC (pH 5.5): 1104.37
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 67.69
ACD/KOC (pH 7.4): 594.36
Polar Surface Area: 156 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 355.9±3.0 cm3

Click to predict properties on the Chemicalize site






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