ChemSpider 2D Image | (2S,3R,4R,5R,6R,2'S,3'R,4'R,5'R,6'R)-2,2'-[1,3-Phenylenedi(1E)-1-propene-1,3-diyl]bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol] | C24H34O10

(2S,3R,4R,5R,6R,2'S,3'R,4'R,5'R,6'R)-2,2'-[1,3-Phenylenedi(1E)-1-propene-1,3-diyl]bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol]

  • Molecular FormulaC24H34O10
  • Average mass482.521 Da
  • Monoisotopic mass482.215210 Da
  • ChemSpider ID24710663

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S,3R,4R,5R,6R,2'S,3'R,4'R,5'R,6'R)-2,2'-[1,3-Phenylendi(1E)-1-propen-1,3-diyl]bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol] [German] [ACD/IUPAC Name]
(2S,3R,4R,5R,6R,2'S,3'R,4'R,5'R,6'R)-2,2'-[1,3-Phenylenedi(1E)-1-propene-1,3-diyl]bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol] [ACD/IUPAC Name]
(2S,3R,4R,5R,6R,2'S,3'R,4'R,5'R,6'R)-2,2'-[1,3-Phénylènedi(1E)-1-propène-1,3-diyl]bis[6-(hydroxyméthyl)tétrahydro-2H-pyrane-3,4,5-triol] [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL501196/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 778.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 424.7±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 125.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.01
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.92
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.92
Polar Surface Area: 180 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 68.3±3.0 dyne/cm
Molar Volume: 337.5±3.0 cm3

Click to predict properties on the Chemicalize site


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