ChemSpider 2D Image | Taxillusin | C28H26O16

Taxillusin

  • Molecular FormulaC28H26O16
  • Average mass618.496 Da
  • Monoisotopic mass618.122070 Da
  • ChemSpider ID10306084
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl-6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-3-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]-, (2R,3R)- [ACD/Index Name]
6-O-(3,4,5-Trihydroxybenzoyl)-β-D-glucopyranoside de (2R,3R)-2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
Taxillusin [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 1074.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.0±3.0 kJ/mol
Flash Point: 354.5±27.8 °C
Index of Refraction: 1.813
Molar Refractivity: 140.7±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.36
ACD/KOC (pH 5.5): 340.49
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 9.45
ACD/KOC (pH 7.4): 132.15
Polar Surface Area: 273 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 143.5±5.0 dyne/cm
Molar Volume: 325.4±5.0 cm3

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