ChemSpider 2D Image | 8-[({3'-[(2R,4S,6R)-4-[4-(Hydroxymethyl)phenyl]-6-{[4-(4-nitrophenyl)-1-piperazinyl]methyl}-1,3-dioxan-2-yl]-3-biphenylyl}methyl)amino]-8-oxooctanoic acid | C43H50N4O8

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

  • Molecular FormulaC43H50N4O8
  • Average mass750.879 Da
  • Monoisotopic mass750.362854 Da
  • ChemSpider ID5107576
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

8-[({3'-[(2R,4S,6R)-4-[4-(Hydroxymethyl)phenyl]-6-{[4-(4-nitrophenyl)-1-piperazinyl]methyl}-1,3-dioxan-2-yl]-3-biphenylyl}methyl)amino]-8-oxooctanoic acid [ACD/IUPAC Name]
8-[({3'-[(2R,4S,6R)-4-[4-(Hydroxymethyl)phenyl]-6-{[4-(4-nitrophenyl)-1-piperazinyl]methyl}-1,3-dioxan-2-yl]-3-biphenylyl}methyl)amino]-8-oxooctansäure [German] [ACD/IUPAC Name]
Acide 8-[({3'-[(2R,4S,6R)-4-[4-(hydroxyméthyl)phényl]-6-{[4-(4-nitrophényl)-1-pipérazinyl]méthyl}-1,3-dioxan-2-yl]-3-biphénylyl}méthyl)amino]-8-oxooctanoïque [French] [ACD/IUPAC Name]
Octanoic acid, 8-[[[3'-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1,3-dioxan-2-yl][1,1'-biphenyl]-3-yl]methyl]amino]-8-oxo- [ACD/Index Name]
DIOX-H_003166

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

Density: 1.2±0.1 g/cm3
Boiling Point: 979.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.5±3.0 kJ/mol
Flash Point: 546.2±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 208.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 847.66
ACD/KOC (pH 5.5): 1967.02
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 34.31
ACD/KOC (pH 7.4): 79.61
Polar Surface Area: 157 Å2
Polarizability: 82.5±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 603.2±3.0 cm3

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