ChemSpider 2D Image | 6-Acetamido-N-{4-[(2S,4R,5R,6S)-4-[4-(hydroxymethyl)phenyl]-6-({[(1S,2R)-1-hydroxy-1-phenyl-2-propanyl](methyl)amino}methyl)-5-methyl-1,3-dioxan-2-yl]phenyl}hexanamide | C37H49N3O6

6-Acetamido-N-{4-[(2S,4R,5R,6S)-4-[4-(hydroxymethyl)phenyl]-6-({[(1S,2R)-1-hydroxy-1-phenyl-2-propanyl](methyl)amino}methyl)-5-methyl-1,3-dioxan-2-yl]phenyl}hexanamide

  • Molecular FormulaC37H49N3O6
  • Average mass631.802 Da
  • Monoisotopic mass631.362122 Da
  • ChemSpider ID5136860

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

6-Acetamido-N-{4-[(2S,4R,5R,6S)-4-[4-(hydroxymethyl)phenyl]-6-({[(1S,2R)-1-hydroxy-1-phenyl-2-propanyl](methyl)amino}methyl)-5-methyl-1,3-dioxan-2-yl]phenyl}hexanamid [German] [ACD/IUPAC Name]
6-Acetamido-N-{4-[(2S,4R,5R,6S)-4-[4-(hydroxymethyl)phenyl]-6-({[(1S,2R)-1-hydroxy-1-phenyl-2-propanyl](methyl)amino}methyl)-5-methyl-1,3-dioxan-2-yl]phenyl}hexanamide [ACD/IUPAC Name]
6-Acétamido-N-{4-[(2S,4R,5R,6S)-4-[4-(hydroxyméthyl)phényl]-6-({[(1S,2R)-1-hydroxy-1-phényl-2-propanyl](méthyl)amino}méthyl)-5-méthyl-1,3-dioxan-2-yl]phényl}hexanamide [French] [ACD/IUPAC Name]
Hexanamide, 6-(acetylamino)-N-[4-[(2S,4R,5R,6S)-4-[4-(hydroxymethyl)phenyl]-6-[[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]methylamino]methyl]-5-methyl-1,3-dioxan-2-yl]phenyl]- [ACD/Index Name]

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

DIOX2_023698 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 872.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.9±3.0 kJ/mol
Flash Point: 481.6±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 180.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 1.93
ACD/KOC (pH 5.5): 12.10
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 97.68
ACD/KOC (pH 7.4): 613.85
Polar Surface Area: 120 Å2
Polarizability: 71.5±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 542.5±3.0 cm3

Click to predict properties on the Chemicalize site


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