ChemSpider 2D Image | 2-Isopropyl 3-methyl 4-(3,4-dimethoxyphenyl)-1-hydroxy-5,6,7-trimethoxy-2,3-naphthalenedicarboxylate | C27H30O10

2-Isopropyl 3-methyl 4-(3,4-dimethoxyphenyl)-1-hydroxy-5,6,7-trimethoxy-2,3-naphthalenedicarboxylate

  • Molecular FormulaC27H30O10
  • Average mass514.521 Da
  • Monoisotopic mass514.183899 Da
  • ChemSpider ID8777269

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-, 3-methyl 2-(1-methylethyl) ester [ACD/Index Name]
2-Isopropyl 3-methyl 4-(3,4-dimethoxyphenyl)-1-hydroxy-5,6,7-trimethoxy-2,3-naphthalenedicarboxylate [ACD/IUPAC Name]
2-Isopropyl-3-methyl-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 2-isopropyle et de 3-méthyle [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: 607.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 195.4±25.0 °C
Index of Refraction: 1.570
Molar Refractivity: 136.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 519.26
ACD/KOC (pH 5.5): 3037.20
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 188.33
ACD/KOC (pH 7.4): 1101.54
Polar Surface Area: 119 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 416.5±3.0 cm3

Click to predict properties on the Chemicalize site


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