ChemSpider 2D Image | 1,2,3,6-Tetrakis-O-(3,4,5-trihydroxybenzoyl)hexopyranose | C34H28O22

1,2,3,6-Tetrakis-O-(3,4,5-trihydroxybenzoyl)hexopyranose

  • Molecular FormulaC34H28O22
  • Average mass788.573 Da
  • Monoisotopic mass788.107239 Da
  • ChemSpider ID4326748

More details:

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

1,2,3,6-Tetrakis-O-(3,4,5-trihydroxybenzoyl)hexopyranose [ACD/IUPAC Name]
1,2,3,6-Tetrakis-O-(3,4,5-trihydroxybenzoyl)hexopyranose [German] [ACD/IUPAC Name]
1,2,3,6-Tétrakis-O-(3,4,5-trihydroxybenzoyl)hexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 1,2,3,6-tetrakis(3,4,5-trihydroxybenzoate) [ACD/Index Name]
1,2,3,6-tetra-<i>O</i>-gallose-&β;-<i&gt;D</i>-glucopyranose
1,2,3,6-tetrakis-O-galloyl-β-D-glucose
5-hydroxy-2,3,4-tri(3,4,5-trihydroxyphenylcarbonyloxy)-6-(3,4,5-trihydroxyphenylcarbonyloxymethyl)tetrahydro-2H-pyran

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1240.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 193.6±3.0 kJ/mol
Flash Point: 388.6±27.8 °C
Index of Refraction: 1.850
Molar Refractivity: 174.1±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 6.31
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 349.91
ACD/KOC (pH 5.5): 2302.53
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 331.40
ACD/KOC (pH 7.4): 2180.75
Polar Surface Area: 377 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 170.5±5.0 dyne/cm
Molar Volume: 389.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement