ChemSpider 2D Image | Ethyl 3-(diethoxymethyl)-5-(1,3-dihydro-2H-pyrrolo[3,4-b]quinolin-2-yl)-4-{[(4-hydroxy-2-methyl-2-pentanyl)amino]methyl}-5-oxopentanoate | C30H45N3O6

Ethyl 3-(diethoxymethyl)-5-(1,3-dihydro-2H-pyrrolo[3,4-b]quinolin-2-yl)-4-{[(4-hydroxy-2-methyl-2-pentanyl)amino]methyl}-5-oxopentanoate

  • Molecular FormulaC30H45N3O6
  • Average mass543.695 Da
  • Monoisotopic mass543.330811 Da
  • ChemSpider ID255193

More details:

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

2H-Pyrrolo[3,4-b]quinoline-2-pentanoic acid, β-(diethoxymethyl)-1,3-dihydro-γ-[[(3-hydroxy-1,1-dimethylbutyl)amino]methyl]-δ-oxo-, ethyl ester [ACD/Index Name]
3-(Diéthoxyméthyl)-5-(1,3-dihydro-2H-pyrrolo[3,4-b]quinoléin-2-yl)-4-{[(4-hydroxy-2-méthyl-2-pentanyl)amino]méthyl}-5-oxopentanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-(diethoxymethyl)-5-(1,3-dihydro-2H-pyrrolo[3,4-b]quinolin-2-yl)-4-{[(4-hydroxy-2-methyl-2-pentanyl)amino]methyl}-5-oxopentanoate [ACD/IUPAC Name]
Ethyl-3-(diethoxymethyl)-5-(1,3-dihydro-2H-pyrrolo[3,4-b]chinolin-2-yl)-4-{[(4-hydroxy-2-methyl-2-pentanyl)amino]methyl}-5-oxopentanoat [German] [ACD/IUPAC Name]

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

NSC151013 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 696.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 374.7±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 151.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.01
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 30.14
ACD/KOC (pH 7.4): 162.51
Polar Surface Area: 110 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 472.9±3.0 cm3

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