ChemSpider 2D Image | 7-[(3-{4-[4-(Hydroxymethyl)phenyl]-6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1,3-dioxan-2-yl}phenyl)amino]-7-oxoheptanoic acid | C35H48N2O6

7-[(3-{4-[4-(Hydroxymethyl)phenyl]-6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1,3-dioxan-2-yl}phenyl)amino]-7-oxoheptanoic acid

  • Molecular FormulaC35H48N2O6
  • Average mass592.765 Da
  • Monoisotopic mass592.351257 Da
  • ChemSpider ID3557446

More details:

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

7-[(3-{4-[4-(Hydroxymethyl)phenyl]-6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1,3-dioxan-2-yl}phenyl)amino]-7-oxoheptanoic acid [ACD/IUPAC Name]
7-[(3-{4-[4-(Hydroxymethyl)phenyl]-6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1,3-dioxan-2-yl}phenyl)amino]-7-oxoheptansäure [German] [ACD/IUPAC Name]
Acide 7-[(3-{4-[4-(hydroxyméthyl)phényl]-6-[(1,3,3-triméthyl-6-azabicyclo[3.2.1]oct-6-yl)méthyl]-1,3-dioxan-2-yl}phényl)amino]-7-oxoheptanoïque [French] [ACD/IUPAC Name]
Heptanoic acid, 7-[[3-[4-[4-(hydroxymethyl)phenyl]-6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1,3-dioxan-2-yl]phenyl]amino]-7-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: 776.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 423.1±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 166.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 15.99
ACD/KOC (pH 5.5): 47.75
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 17.83
ACD/KOC (pH 7.4): 53.23
Polar Surface Area: 108 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 501.8±3.0 cm3

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