ChemSpider 2D Image | (2R,3R)-3,5,7,8-Tetrahydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromen-4-one | C25H22O11

(2R,3R)-3,5,7,8-Tetrahydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC25H22O11
  • Average mass498.436 Da
  • Monoisotopic mass498.116211 Da
  • ChemSpider ID28530084

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2R,3R)-3,5,7,8-Tetrahydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2R,3R)-3,5,7,8-Tetrahydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2R,3R)-3,5,7,8-Tétrahydroxy-2-[3-(4-hydroxy-3-méthoxyphényl)-2-(hydroxyméthyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7,8-tetrahydroxy-, (2R,3R)- [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: 820.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.0±3.0 kJ/mol
Flash Point: 282.9±27.8 °C
Index of Refraction: 1.703
Molar Refractivity: 121.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.60
ACD/KOC (pH 5.5): 280.38
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 7.07
ACD/KOC (pH 7.4): 106.55
Polar Surface Area: 175 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 79.6±3.0 dyne/cm
Molar Volume: 314.4±3.0 cm3

Click to predict properties on the Chemicalize site


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