ChemSpider 2D Image | N,N-Diethyl-3-[(2S)-3-(hydroxy{4-[(4-methylbenzyl)oxy]phenyl}methylene)-2-(4-hydroxyphenyl)-4,5-dioxo-1-pyrrolidinyl]-1-propanaminium | C32H37N2O5

N,N-Diethyl-3-[(2S)-3-(hydroxy{4-[(4-methylbenzyl)oxy]phenyl}methylene)-2-(4-hydroxyphenyl)-4,5-dioxo-1-pyrrolidinyl]-1-propanaminium

  • Molecular FormulaC32H37N2O5
  • Average mass529.646 Da
  • Monoisotopic mass529.269714 Da
  • ChemSpider ID7821290

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Pyrrolidinepropanaminium, N,N-diethyl-3-[hydroxy[4-[(4-methylphenyl)methoxy]phenyl]methylene]-2-(4-hydroxyphenyl)-4,5-dioxo-, (2S)- [ACD/Index Name]
N,N-Diethyl-3-[(2S)-3-(hydroxy{4-[(4-methylbenzyl)oxy]phenyl}methylen)-2-(4-hydroxyphenyl)-4,5-dioxo-1-pyrrolidinyl]-1-propanaminium [German] [ACD/IUPAC Name]
N,N-Diethyl-3-[(2S)-3-(hydroxy{4-[(4-methylbenzyl)oxy]phenyl}methylene)-2-(4-hydroxyphenyl)-4,5-dioxo-1-pyrrolidinyl]-1-propanaminium [ACD/IUPAC Name]
N,N-Diéthyl-3-[(2S)-3-(hydroxy{4-[(4-méthylbenzyl)oxy]phényl}méthylène)-2-(4-hydroxyphényl)-4,5-dioxo-1-pyrrolidinyl]-1-propanaminium [French] [ACD/IUPAC Name]

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

ZINC08440571 [DBID]

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

Density:
Boiling Point: 715.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 386.7±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 4.84
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 3.60
ACD/KOC (pH 7.4): 16.36
Polar Surface Area: 92 Å2
Polarizability:
Surface Tension:
Molar Volume:

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