ChemSpider 2D Image | Methyl 5-[3-amino-1-(7-methoxy-1,3-benzodioxol-5-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate | C18H18N2O8

Methyl 5-[3-amino-1-(7-methoxy-1,3-benzodioxol-5-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate

  • Molecular FormulaC18H18N2O8
  • Average mass390.344 Da
  • Monoisotopic mass390.106323 Da
  • ChemSpider ID35145688

More details:

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

3-Pyridinecarboxylic acid, 5-[3-amino-1-(7-methoxy-1,3-benzodioxol-5-yl)-3-oxopropyl]-1,6-dihydro-4-hydroxy-6-oxo-, methyl ester [ACD/Index Name]
5-[3-Amino-1-(7-méthoxy-1,3-benzodioxol-5-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-[3-amino-1-(7-methoxy-1,3-benzodioxol-5-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Methyl-5-[3-amino-1-(7-methoxy-1,3-benzodioxol-5-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1,6-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
methyl 5-(3-amino-1-(7-methoxybenzo[d][1,3]dioxol-5-yl)-3-oxopropyl)-4-hydroxy-6-oxo-1,6-dihydropyridine-3-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 668.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 358.4±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.06
ACD/LogD (pH 7.4): -3.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 68.4±3.0 dyne/cm
Molar Volume: 262.2±3.0 cm3

Click to predict properties on the Chemicalize site


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