ChemSpider 2D Image | (2R,3R)-3,5-Dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-oxo-3,4-dihydro-2H-chromen-7-yl 3,4,5-trihydroxybenzoate | C32H26O14

(2R,3R)-3,5-Dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-oxo-3,4-dihydro-2H-chromen-7-yl 3,4,5-trihydroxybenzoate

  • Molecular FormulaC32H26O14
  • Average mass634.540 Da
  • Monoisotopic mass634.132263 Da
  • ChemSpider ID26617079

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2R,3R)-3,5-Dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-oxo-3,4-dihydro-2H-chromen-7-yl 3,4,5-trihydroxybenzoate [ACD/IUPAC Name]
(2R,3R)-3,5-Dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-oxo-3,4-dihydro-2H-chromen-7-yl-3,4,5-trihydroxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Trihydroxybenzoate de (2R,3R)-3,5-dihydroxy-2-[3-(4-hydroxy-3-méthoxyphényl)-2-(hydroxyméthyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-[2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-3,4-dihydro-3,5-dihydroxy-4-oxo-2H-1-benzopyran-7-yl ester [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: 997.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.5±3.0 kJ/mol
Flash Point: 326.2±27.8 °C
Index of Refraction: 1.713
Molar Refractivity: 155.4±0.3 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 115.04
ACD/KOC (pH 5.5): 1009.11
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 7.92
ACD/KOC (pH 7.4): 69.51
Polar Surface Area: 222 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 81.9±3.0 dyne/cm
Molar Volume: 396.2±3.0 cm3

Click to predict properties on the Chemicalize site


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