ChemSpider 2D Image | 1-(3-Acetyl-2,4,6-trihydroxyphenyl)-1,5-anhydro-2-O-(3,4,5-trihydroxybenzoyl)hexitol | C21H22O13

1-(3-Acetyl-2,4,6-trihydroxyphenyl)-1,5-anhydro-2-O-(3,4,5-trihydroxybenzoyl)hexitol

  • Molecular FormulaC21H22O13
  • Average mass482.392 Da
  • Monoisotopic mass482.106049 Da
  • ChemSpider ID35014976

More details:

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

1-(3-Acetyl-2,4,6-trihydroxyphenyl)-1,5-anhydro-2-O-(3,4,5-trihydroxybenzoyl)hexitol [German] [ACD/IUPAC Name]
1-(3-Acetyl-2,4,6-trihydroxyphenyl)-1,5-anhydro-2-O-(3,4,5-trihydroxybenzoyl)hexitol [ACD/IUPAC Name]
1-(3-Acétyl-2,4,6-trihydroxyphényl)-1,5-anhydro-2-O-(3,4,5-trihydroxybenzoyl)hexitol [French] [ACD/IUPAC Name]
Hexitol, 1-C-(3-acetyl-2,4,6-trihydroxyphenyl)-1,5-anhydro-, 2-(3,4,5-trihydroxybenzoate) [ACD/Index Name]
2-(3-acetyl-2,4,6-trihydroxyphenyl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate
3'-(2''-Galloylglucosyl)-phloroacetophenone

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

Density: 1.9±0.1 g/cm3
Boiling Point: 800.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.0±3.0 kJ/mol
Flash Point: 278.7±27.8 °C
Index of Refraction: 1.774
Molar Refractivity: 108.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.62
ACD/KOC (pH 5.5): 175.35
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 4.61
ACD/KOC (pH 7.4): 83.94
Polar Surface Area: 235 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 137.1±5.0 dyne/cm
Molar Volume: 260.1±5.0 cm3

Click to predict properties on the Chemicalize site


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