ChemSpider 2D Image | 6-[(4-{4-[4-(Hydroxymethyl)phenyl]-6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1,3-dioxan-2-yl}benzyl)amino]-6-oxohexanoic acid | C35H48N2O6

6-[(4-{4-[4-(Hydroxymethyl)phenyl]-6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1,3-dioxan-2-yl}benzyl)amino]-6-oxohexanoic acid

  • Molecular FormulaC35H48N2O6
  • Average mass592.765 Da
  • Monoisotopic mass592.351257 Da
  • ChemSpider ID3237943

More details:

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

6-[(4-{4-[4-(Hydroxymethyl)phenyl]-6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1,3-dioxan-2-yl}benzyl)amino]-6-oxohexanoic acid [ACD/IUPAC Name]
6-[(4-{4-[4-(Hydroxymethyl)phenyl]-6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1,3-dioxan-2-yl}benzyl)amino]-6-oxohexansäure [German] [ACD/IUPAC Name]
Acide 6-[(4-{4-[4-(hydroxyméthyl)phényl]-6-[(1,3,3-triméthyl-6-azabicyclo[3.2.1]oct-6-yl)méthyl]-1,3-dioxan-2-yl}benzyl)amino]-6-oxohexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[[[4-[4-[4-(hydroxymethyl)phenyl]-6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1,3-dioxan-2-yl]phenyl]methyl]amino]-6-oxo- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 795.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 434.9±32.9 °C
Index of Refraction: 1.566
Molar Refractivity: 165.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 5.05
ACD/KOC (pH 5.5): 21.01
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 5.56
ACD/KOC (pH 7.4): 23.13
Polar Surface Area: 108 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 507.4±3.0 cm3

Click to predict properties on the Chemicalize site


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