ChemSpider 2D Image | (1xi)-1,5-Anhydro-2-O-(6-deoxy-D-gulopyranosyl)-1-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl]-D-galactitol | C28H32O14

(1ξ)-1,5-Anhydro-2-O-(6-deoxy-D-gulopyranosyl)-1-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl]-D-galactitol

  • Molecular FormulaC28H32O14
  • Average mass592.545 Da
  • Monoisotopic mass592.179199 Da
  • ChemSpider ID28288152

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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(1ξ)-1,5-Anhydro-2-O-(6-deoxy-D-gulopyranosyl)-1-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl]-D-galactitol [ACD/IUPAC Name]
(1ξ)-1,5-Anhydro-2-O-(6-desoxy-D-gulopyranosyl)-1-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl]-D-galactitol [German] [ACD/IUPAC Name]
(1ξ)-1,5-Anhydro-2-O-(6-désoxy-D-gulopyranosyl)-1-[5,7-dihydroxy-2-(4-méthoxyphényl)-4-oxo-4H-chromén-8-yl]-D-galactitol [French] [ACD/IUPAC Name]
D-Galactitol, 1,5-anhydro-2-O-(6-deoxy-D-gulopyranosyl)-1-C-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-, (1ξ)- [ACD/Index Name]
acacetin-8-C-neohesperidoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 872.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.8±3.0 kJ/mol
Flash Point: 287.8±27.8 °C
Index of Refraction: 1.716
Molar Refractivity: 140.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 3.81
ACD/KOC (pH 5.5): 83.13
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.19
Polar Surface Area: 225 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 100.7±5.0 dyne/cm
Molar Volume: 356.0±5.0 cm3

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