ChemSpider 2D Image | 3-Hydroxy-2-(4-hydroxybenzoyl)-5-methoxyphenyl 6-O-acetyl-beta-D-glucopyranoside | C22H24O11

3-Hydroxy-2-(4-hydroxybenzoyl)-5-methoxyphenyl 6-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC22H24O11
  • Average mass464.419 Da
  • Monoisotopic mass464.131866 Da
  • ChemSpider ID28663508

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Hydroxy-2-(4-hydroxybenzoyl)-5-methoxyphenyl 6-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
3-Hydroxy-2-(4-hydroxybenzoyl)-5-methoxyphenyl-6-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-Acétyl-β-D-glucopyranoside de 3-hydroxy-2-(4-hydroxybenzoyl)-5-méthoxyphényle [French] [ACD/IUPAC Name]
Methanone, [2-[(6-O-acetyl-β-D-glucopyranosyl)oxy]-6-hydroxy-4-methoxyphenyl](4-hydroxyphenyl)- [ACD/Index 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: 752.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.1±3.0 kJ/mol
Flash Point: 261.1±26.4 °C
Index of Refraction: 1.629
Molar Refractivity: 111.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.68
ACD/KOC (pH 5.5): 174.23
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.56
ACD/KOC (pH 7.4): 28.08
Polar Surface Area: 172 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 314.5±3.0 cm3

Click to predict properties on the Chemicalize site


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