ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-6-yl]-D-galactitol | C21H22O11

(1S)-1,5-Anhydro-1-[(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-6-yl]-D-galactitol

  • Molecular FormulaC21H22O11
  • Average mass450.393 Da
  • Monoisotopic mass450.116211 Da
  • ChemSpider ID127384208

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-6-yl]-D-galactitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-6-yl]-D-galactitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(2S)-2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromén-6-yl]-D-galactitol [French] [ACD/IUPAC Name]
D-Galactitol, 1,5-anhydro-1-C-[(2S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-6-yl]-, (1S)- [ACD/Index Name]
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
118040-45-2 [RN]
Eriodictyol-6-glucoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 863.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.5±3.0 kJ/mol
Flash Point: 304.7±27.8 °C
Index of Refraction: 1.737
Molar Refractivity: 106.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.70
ACD/KOC (pH 5.5): 69.50
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.11
Polar Surface Area: 197 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 102.4±3.0 dyne/cm
Molar Volume: 263.5±3.0 cm3

Click to predict properties on the Chemicalize site


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