ChemSpider 2D Image | 7-{[4-(4-[4-(Hydroxymethyl)phenyl]-6-{[4-(4-nitrophenyl)-1-piperazinyl]methyl}-1,3-dioxan-2-yl)benzyl]amino}-7-oxoheptanoic acid | C36H44N4O8

7-{[4-(4-[4-(Hydroxymethyl)phenyl]-6-{[4-(4-nitrophenyl)-1-piperazinyl]methyl}-1,3-dioxan-2-yl)benzyl]amino}-7-oxoheptanoic acid

  • Molecular FormulaC36H44N4O8
  • Average mass660.757 Da
  • Monoisotopic mass660.315918 Da
  • ChemSpider ID3882758

More details:






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

7-{[4-(4-[4-(Hydroxymethyl)phenyl]-6-{[4-(4-nitrophenyl)-1-piperazinyl]methyl}-1,3-dioxan-2-yl)benzyl]amino}-7-oxoheptanoic acid [ACD/IUPAC Name]
7-{[4-(4-[4-(Hydroxymethyl)phenyl]-6-{[4-(4-nitrophenyl)-1-piperazinyl]methyl}-1,3-dioxan-2-yl)benzyl]amino}-7-oxoheptansäure [German] [ACD/IUPAC Name]
Acide 7-{[4-(4-[4-(hydroxyméthyl)phényl]-6-{[4-(4-nitrophényl)-1-pipérazinyl]méthyl}-1,3-dioxan-2-yl)benzyl]amino}-7-oxoheptanoïque [French] [ACD/IUPAC Name]
Heptanoic acid, 7-[[[4-[4-[4-(hydroxymethyl)phenyl]-6-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1,3-dioxan-2-yl]phenyl]methyl]amino]-7-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: 921.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.4±3.0 kJ/mol
Flash Point: 511.2±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 178.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 31.18
ACD/KOC (pH 5.5): 182.74
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 7.36
Polar Surface Area: 157 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 521.4±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement