ChemSpider 2D Image | TCMDC-131765 | C17H16O9

TCMDC-131765

  • Molecular FormulaC17H16O9
  • Average mass364.303 Da
  • Monoisotopic mass364.079437 Da
  • ChemSpider ID24571733

More details:

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

3,3'-[(2-Hydroxy-1,3-propandiyl)bis(oxy)]bis(6-hydroxybenzoesäure) [German] [ACD/IUPAC Name]
3,3'-[(2-Hydroxy-1,3-propanediyl)bis(oxy)]bis(6-hydroxybenzoic acid) [ACD/IUPAC Name]
3,3'-[(2-Hydroxypropane-1,3-diyl)bis(oxy)]bis(6-hydroxybenzoic acid)
Acide 3,3'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis(6-hydroxybenzoïque) [French] [ACD/IUPAC Name]
Benzoic acid, 3,3'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[6-hydroxy- [ACD/Index Name]
TCMDC-131765
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.226629605 GlaxoSmithKline Malaria Set

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

Density: 1.6±0.1 g/cm3
Boiling Point: 694.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 255.2±25.0 °C
Index of Refraction: 1.669
Molar Refractivity: 87.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.00
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 81.0±3.0 dyne/cm
Molar Volume: 234.6±3.0 cm3

Click to predict properties on the Chemicalize site


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