ChemSpider 2D Image | (2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl 6-deoxy-alpha-D-mannopyranoside | C21H22O11

(2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl 6-deoxy-α-D-mannopyranoside

  • Molecular FormulaC21H22O11
  • Average mass450.393 Da
  • Monoisotopic mass450.116211 Da
  • ChemSpider ID82965703

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl 6-deoxy-α-D-mannopyranoside [ACD/IUPAC Name]
(2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl-6-desoxy-α-D-mannopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-D-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2S,3R)- [ACD/Index Name]
6-Désoxy-α-D-mannopyranoside de (2S,3R)-2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromén-3-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: 801.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 282.9±27.8 °C
Index of Refraction: 1.748
Molar Refractivity: 105.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.86
ACD/KOC (pH 5.5): 164.49
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 2.60
ACD/KOC (pH 7.4): 48.28
Polar Surface Area: 186 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 112.8±5.0 dyne/cm
Molar Volume: 258.1±5.0 cm3

Click to predict properties on the Chemicalize site


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