ChemSpider 2D Image | 1,2,3-Tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose | C27H24O18

1,2,3-Tris-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranose

  • Molecular FormulaC27H24O18
  • Average mass636.469 Da
  • Monoisotopic mass636.096252 Da
  • ChemSpider ID29814700

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1,2,3-Tris-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranose [German] [ACD/IUPAC Name]
1,2,3-Tris-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranose [ACD/IUPAC Name]
1,2,3-Tris-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1,2,3-tris(3,4,5-trihydroxybenzoate) [ACD/Index Name]
(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxyphenyl)carbonyloxy]oxan-4-yl 3,4,5-trihydroxybenzoate
(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyphenyl)carbonyloxy]oxan-2-yl 3,4,5-trihydroxybenzoate
1,2,3-tri-O-galloyl-??-d-glucose
1,2,3-tri-O-Galloyl-β-4C1-glucose
1,2,3-Tri-O-galloyl-β-D-glucose

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1101.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 169.5±3.0 kJ/mol
Flash Point: 362.3±27.8 °C
Index of Refraction: 1.823
Molar Refractivity: 139.8±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.03
ACD/KOC (pH 5.5): 387.63
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.50
ACD/KOC (pH 7.4): 367.13
Polar Surface Area: 311 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 160.4±5.0 dyne/cm
Molar Volume: 320.4±5.0 cm3

Click to predict properties on the Chemicalize site


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