ChemSpider 2D Image | Methyl 5-{3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl}-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate | C19H21N3O8

Methyl 5-{3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl}-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate

  • Molecular FormulaC19H21N3O8
  • Average mass419.385 Da
  • Monoisotopic mass419.132874 Da
  • ChemSpider ID35147390

More details:

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

3-Pyridinecarboxylic acid, 5-[3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl]-1,6-dihydro-4-hydroxy-6-oxo-, methyl ester [ACD/Index Name]
5-{3-Amino-1-[3-(2-amino-2-oxoéthoxy)-4-méthoxyphényl]-3-oxopropyl}-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-{3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl}-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Methyl-5-{3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl}-4-hydroxy-6-oxo-1,6-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
methyl 5-(3-amino-1-(3-(2-amino-2-oxoethoxy)-4-methoxyphenyl)-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: 1.4±0.1 g/cm3
Boiling Point: 768.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 418.8±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -2.22
ACD/LogD (pH 5.5): -2.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 68.2±3.0 dyne/cm
Molar Volume: 292.3±3.0 cm3

Click to predict properties on the Chemicalize site


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