ChemSpider 2D Image | (5xi)-1,2,3,4,6-Pentakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-lyxo-hexopyranose | C41H32O26

(5ξ)-1,2,3,4,6-Pentakis-O-(3,4,5-trihydroxybenzoyl)-β-D-lyxo-hexopyranose

  • Molecular FormulaC41H32O26
  • Average mass940.677 Da
  • Monoisotopic mass940.118164 Da
  • ChemSpider ID13087170

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5ξ)-1,2,3,4,6-Pentakis-O-(3,4,5-trihydroxybenzoyl)-β-D-lyxo-hexopyranose [German] [ACD/IUPAC Name]
(5ξ)-1,2,3,4,6-Pentakis-O-(3,4,5-trihydroxybenzoyl)-β-D-lyxo-hexopyranose [ACD/IUPAC Name]
(5ξ)-1,2,3,4,6-Pentakis-O-(3,4,5-trihydroxybenzoyl)-β-D-lyxo-hexopyranose [French] [ACD/IUPAC Name]
β-D-lyxo-Hexopyranose, pentakis(3,4,5-trihydroxybenzoate), (5ξ)- [ACD/Index Name]
(2S,3S,4S,5R)-3,4,5-tris(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate
[(3R,4S,5S,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxyphenyl)carbonyloxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
1,2,3,4,6-Pentakis-O-galloyl-β-D-glucose
14937-32-7 [RN]
3,4,5-trihydroxybenzoic acid [(3R,4S,5S,6S)-3,4,5,6-tetragalloyloxytetrahydropyran-2-yl]methyl ester
Pentagalloylglucose

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

Density: 2.1±0.1 g/cm3
Boiling Point: 1365.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 213.9±3.0 kJ/mol
Flash Point: 410.4±27.8 °C
Index of Refraction: 1.870
Molar Refractivity: 208.3±0.4 cm3
#H bond acceptors: 26
#H bond donors: 15
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 4
ACD/LogP: 8.51
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6577.95
ACD/KOC (pH 5.5): 18802.65
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6230.05
ACD/KOC (pH 7.4): 17808.20
Polar Surface Area: 444 Å2
Polarizability: 82.6±0.5 10-24cm3
Surface Tension: 178.5±5.0 dyne/cm
Molar Volume: 458.6±5.0 cm3

Click to predict properties on the Chemicalize site


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