ChemSpider 2D Image | (2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate | C25H22O9

(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

  • Molecular FormulaC25H22O9
  • Average mass466.437 Da
  • Monoisotopic mass466.126373 Da
  • ChemSpider ID34530227

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E)-3-(4-Hydroxy-3-méthoxyphényl)acrylate de (2R,3R)-2-(3,4-dihydroxyphényl)-5,7-dihydroxy-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate [ACD/IUPAC Name]
(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl-(2E)-3-(4-hydroxy-3-methoxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2E)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 755.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 260.6±26.4 °C
Index of Refraction: 1.734
Molar Refractivity: 119.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.73
ACD/KOC (pH 5.5): 502.88
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.38
ACD/KOC (pH 7.4): 486.58
Polar Surface Area: 146 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 92.6±5.0 dyne/cm
Molar Volume: 298.0±5.0 cm3

Click to predict properties on the Chemicalize site


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