ChemSpider 2D Image | 8-{[3-(4-[4-(Hydroxymethyl)phenyl]-6-{[4-(4-nitrophenyl)-1-piperazinyl]methyl}-1,3-dioxan-2-yl)phenyl]amino}-8-oxooctanoic acid | C36H44N4O8

8-{[3-(4-[4-(Hydroxymethyl)phenyl]-6-{[4-(4-nitrophenyl)-1-piperazinyl]methyl}-1,3-dioxan-2-yl)phenyl]amino}-8-oxooctanoic acid

  • Molecular FormulaC36H44N4O8
  • Average mass660.757 Da
  • Monoisotopic mass660.315918 Da
  • ChemSpider ID3503857

More details:






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

8-{[3-(4-[4-(Hydroxymethyl)phenyl]-6-{[4-(4-nitrophenyl)-1-piperazinyl]methyl}-1,3-dioxan-2-yl)phenyl]amino}-8-oxooctanoic acid [ACD/IUPAC Name]
8-{[3-(4-[4-(Hydroxymethyl)phenyl]-6-{[4-(4-nitrophenyl)-1-piperazinyl]methyl}-1,3-dioxan-2-yl)phenyl]amino}-8-oxooctansäure [German] [ACD/IUPAC Name]
Acide 8-{[3-(4-[4-(hydroxyméthyl)phényl]-6-{[4-(4-nitrophényl)-1-pipérazinyl]méthyl}-1,3-dioxan-2-yl)phényl]amino}-8-oxooctanoïque [French] [ACD/IUPAC Name]
Octanoic acid, 8-[[3-[4-[4-(hydroxymethyl)phenyl]-6-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1,3-dioxan-2-yl]phenyl]amino]-8-oxo- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 901.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.3±3.0 kJ/mol
Flash Point: 499.1±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 179.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 86.60
ACD/KOC (pH 5.5): 384.26
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 3.50
ACD/KOC (pH 7.4): 15.52
Polar Surface Area: 157 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 515.7±3.0 cm3

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