ChemSpider 2D Image | (6S)-2,6-Anhydro-1-deoxy-6-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4-oxo-4H-chromen-8-yl]-D-erythro-hexitol | C23H24O11

(6S)-2,6-Anhydro-1-deoxy-6-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4-oxo-4H-chromen-8-yl]-D-erythro-hexitol

  • Molecular FormulaC23H24O11
  • Average mass476.430 Da
  • Monoisotopic mass476.131866 Da
  • ChemSpider ID24845394

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(6S)-2,6-Anhydro-1-deoxy-6-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4-oxo-4H-chromen-8-yl]-D-erythro-hexitol [ACD/IUPAC Name]
(6S)-2,6-Anhydro-1-desoxy-6-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4-oxo-4H-chromen-8-yl]-D-erythro-hexitol [German] [ACD/IUPAC Name]
(6S)-2,6-Anhydro-1-désoxy-6-[5,7-dihydroxy-2-(3-hydroxy-4-méthoxyphényl)-3-méthoxy-4-oxo-4H-chromén-8-yl]-D-érythro-hexitol [French] [ACD/IUPAC Name]
D-erythro-Hexitol, 2,6-anhydro-1-deoxy-6-C-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4-oxo-4H-1-benzopyran-8-yl]-, (6S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 755.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 261.7±26.4 °C
Index of Refraction: 1.714
Molar Refractivity: 113.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 5.52
ACD/KOC (pH 5.5): 105.97
ACD/LogD (pH 7.4): -0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.02
Polar Surface Area: 175 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 95.2±5.0 dyne/cm
Molar Volume: 290.4±5.0 cm3

Click to predict properties on the Chemicalize site


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