ChemSpider 2D Image | 3-Methyl 2-(3-pentanyl) 4-(3,4-dimethoxyphenyl)-1-hydroxy-5,6,7-trimethoxy-2,3-naphthalenedicarboxylate | C29H34O10

3-Methyl 2-(3-pentanyl) 4-(3,4-dimethoxyphenyl)-1-hydroxy-5,6,7-trimethoxy-2,3-naphthalenedicarboxylate

  • Molecular FormulaC29H34O10
  • Average mass542.574 Da
  • Monoisotopic mass542.215210 Da
  • ChemSpider ID8991618

More details:

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

2,3-Naphthalenedicarboxylic acid, 4-(3,4-dimethoxyphenyl)-1-hydroxy-5,6,7-trimethoxy-, 2-(1-ethylpropyl) 3-methyl ester [ACD/Index Name]
3-Methyl 2-(3-pentanyl) 4-(3,4-dimethoxyphenyl)-1-hydroxy-5,6,7-trimethoxy-2,3-naphthalenedicarboxylate [ACD/IUPAC Name]
3-Methyl-2-(3-pentanyl)-4-(3,4-dimethoxyphenyl)-1-hydroxy-5,6,7-trimethoxy-2,3-naphthalindicarboxylat [German] [ACD/IUPAC Name]
4-(3,4-Diméthoxyphényl)-1-hydroxy-5,6,7-triméthoxy-2,3-naphtalènedicarboxylate de 3-méthyle et de 2-(3-pentanyle) [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 626.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 197.6±25.0 °C
Index of Refraction: 1.563
Molar Refractivity: 146.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1610.35
ACD/KOC (pH 5.5): 6800.31
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 417.99
ACD/KOC (pH 7.4): 1765.10
Polar Surface Area: 119 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 449.5±3.0 cm3

Click to predict properties on the Chemicalize site


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