ChemSpider 2D Image | 5-[Bis(3-carboxy-4-hydroxyphenyl)methyl]-3-(3-carboxy-4-hydroxybenzyl)-2-hydroxybenzoic acid | C30H22O12

5-[Bis(3-carboxy-4-hydroxyphenyl)methyl]-3-(3-carboxy-4-hydroxybenzyl)-2-hydroxybenzoic acid

  • Molecular FormulaC30H22O12
  • Average mass574.489 Da
  • Monoisotopic mass574.111145 Da
  • ChemSpider ID328859

More details:






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

5-[Bis(3-carboxy-4-hydroxyphenyl)methyl]-3-(3-carboxy-4-hydroxybenzyl)-2-hydroxybenzoesäure [German] [ACD/IUPAC Name]
5-[Bis(3-carboxy-4-hydroxyphenyl)methyl]-3-(3-carboxy-4-hydroxybenzyl)-2-hydroxybenzoic acid [ACD/IUPAC Name]
Acide 5-[bis(3-carboxy-4-hydroxyphényl)méthyl]-3-(3-carboxy-4-hydroxybenzyl)-2-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[bis(3-carboxy-4-hydroxyphenyl)methyl]-3-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxy- [ACD/Index Name]

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

A-12 [DBID]
AIDS094463 [DBID]
AIDS-094463 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 881.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.3±3.0 kJ/mol
Flash Point: 501.0±30.8 °C
Index of Refraction: 1.747
Molar Refractivity: 144.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 230 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 94.9±3.0 dyne/cm
Molar Volume: 355.9±3.0 cm3

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