ChemSpider 2D Image | 1-(3-Acetyl-2,4,6-trihydroxyphenyl)-1,5-anhydro-2,3,6-tris-O-(3,4,5-trihydroxybenzoyl)hexitol | C35H30O21

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

  • Molecular FormulaC35H30O21
  • Average mass786.600 Da
  • Monoisotopic mass786.127930 Da
  • ChemSpider ID35014980

More details:

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

1-(3-Acetyl-2,4,6-trihydroxyphenyl)-1,5-anhydro-2,3,6-tris-O-(3,4,5-trihydroxybenzoyl)hexitol [German] [ACD/IUPAC Name]
1-(3-Acetyl-2,4,6-trihydroxyphenyl)-1,5-anhydro-2,3,6-tris-O-(3,4,5-trihydroxybenzoyl)hexitol [ACD/IUPAC Name]
1-(3-Acétyl-2,4,6-trihydroxyphényl)-1,5-anhydro-2,3,6-tris-O-(3,4,5-trihydroxybenzoyl)hexitol [French] [ACD/IUPAC Name]
Hexitol, 1-C-(3-acetyl-2,4,6-trihydroxyphenyl)-1,5-anhydro-, 2,3,6-tris(3,4,5-trihydroxybenzoate) [ACD/Index Name]
[6-(3-acetyl-2,4,6-trihydroxyphenyl)-3-hydroxy-4,5-bis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
2'',3'',6''-Tris-O-(3,4,5-trihydroxybenzoyl)-3'-Glucosyl-2',4',6'-trihydroxyacetophenone

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1176.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 182.4±3.0 kJ/mol
Flash Point: 367.9±27.8 °C
Index of Refraction: 1.840
Molar Refractivity: 177.0±0.4 cm3
#H bond acceptors: 21
#H bond donors: 13
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1228.70
ACD/KOC (pH 5.5): 5643.05
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 674.97
ACD/KOC (pH 7.4): 3099.93
Polar Surface Area: 368 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 162.6±5.0 dyne/cm
Molar Volume: 399.4±5.0 cm3

Click to predict properties on the Chemicalize site


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