ChemSpider 2D Image | 4-{[1-Carboxylato-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-3-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3,4-dihydro-2-naphthalenecarboxylate | C27H20O12

4-{[1-Carboxylato-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-3-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3,4-dihydro-2-naphthalenecarboxylate

  • Molecular FormulaC27H20O12
  • Average mass536.442 Da
  • Monoisotopic mass536.096558 Da
  • ChemSpider ID21210536

  • Charge - Charge

More details:

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

1,3-Naphthalenedicarboxylic acid, 2-(3,4-dihydroxyphenyl)-1,2-dihydro-7,8-dihydroxy-, 1-[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] ester, ion(2-) [ACD/Index Name]
4-{[1-Carboxylato-2-(3,4-dihydroxyphényl)éthoxy]carbonyl}-3-(3,4-dihydroxyphényl)-5,6-dihydroxy-3,4-dihydro-2-naphtalènecarboxylate [French] [ACD/IUPAC Name]
4-{[1-Carboxylato-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-3-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3,4-dihydro-2-naphthalenecarboxylate [ACD/IUPAC Name]
4-{[1-Carboxylato-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-3-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3,4-dihydro-2-naphthalincarboxylat [German] [ACD/IUPAC Name]

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

Density:
Boiling Point: 836.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.4±3.0 kJ/mol
Flash Point: 282.3±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.29
ACD/LogD (pH 5.5): -1.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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