ChemSpider 2D Image | (2R)-2-(3,4-Dihydroxyphenyl)-8-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl alpha-L-talopyranoside | C21H22O11

(2R)-2-(3,4-Dihydroxyphenyl)-8-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl α-L-talopyranoside

  • Molecular FormulaC21H22O11
  • Average mass450.393 Da
  • Monoisotopic mass450.116211 Da
  • ChemSpider ID62570831

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R)-2-(3,4-Dihydroxyphenyl)-8-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl α-L-talopyranoside [ACD/IUPAC Name]
(2R)-2-(3,4-Dihydroxyphenyl)-8-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl-α-L-talopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-8-hydroxy-7-(α-L-talopyranosyloxy)-, (2R)- [ACD/Index Name]
α-L-Talopyranoside de (2R)-2-(3,4-dihydroxyphényl)-8-hydroxy-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 818.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.7±3.0 kJ/mol
Flash Point: 288.9±27.8 °C
Index of Refraction: 1.713
Molar Refractivity: 106.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.37
ACD/LogD (pH 7.4): -1.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.82
Polar Surface Area: 186 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 94.6±3.0 dyne/cm
Molar Volume: 270.4±3.0 cm3

Click to predict properties on the Chemicalize site


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