ChemSpider 2D Image | (2R,3S)-7-{[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-2-(4-hydroxyphenyl)-3,5-chromanediol | C20H22O9

(2R,3S)-7-{[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-2-(4-hydroxyphenyl)-3,5-chromanediol

  • Molecular FormulaC20H22O9
  • Average mass406.383 Da
  • Monoisotopic mass406.126373 Da
  • ChemSpider ID24842513

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3S)-7-{[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-2-(4-hydroxyphenyl)-3,5-chromandiol [German] [ACD/IUPAC Name]
(2R,3S)-7-{[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-2-(4-hydroxyphenyl)-3,5-chromanediol [ACD/IUPAC Name]
(2R,3S)-7-{[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]oxy}-2-(4-hydroxyphényl)-3,5-chromanediol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-3,5-diol, 3,4-dihydro-2-(4-hydroxyphenyl)-7-[[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]oxy]-, (2R,3S)- [ACD/Index Name]
Afzelechin 7-O-β-D-apiofuranoside

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

Density: 1.6±0.1 g/cm3
Boiling Point: 753.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 409.4±32.9 °C
Index of Refraction: 1.702
Molar Refractivity: 99.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.03
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.69
Polar Surface Area: 149 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 84.2±3.0 dyne/cm
Molar Volume: 256.1±3.0 cm3

Click to predict properties on the Chemicalize site


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