ChemSpider 2D Image | 2-[(3-{4-[(5-Isopropyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-1H-pyrazol-4-yl)methyl]-3-methylphenoxy}propyl)amino]acetamide | C25H38N4O8

2-[(3-{4-[(5-Isopropyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-1H-pyrazol-4-yl)methyl]-3-methylphenoxy}propyl)amino]acetamide

  • Molecular FormulaC25H38N4O8
  • Average mass522.591 Da
  • Monoisotopic mass522.268982 Da
  • ChemSpider ID8431693

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-[(3-{4-[(5-Isopropyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-1H-pyrazol-4-yl)methyl]-3-methylphenoxy}propyl)amino]acetamid [German] [ACD/IUPAC Name]
2-[(3-{4-[(5-Isopropyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-1H-pyrazol-4-yl)methyl]-3-methylphenoxy}propyl)amino]acetamide [ACD/IUPAC Name]
2-[(3-{4-[(5-Isopropyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-1H-pyrazol-4-yl)méthyl]-3-méthylphénoxy}propyl)amino]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[3-[4-[[3-(β-D-glucopyranosyloxy)-5-(1-methylethyl)-1H-pyrazol-4-yl]methyl]-3-methylphenoxy]propyl]amino]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 815.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.3±3.0 kJ/mol
Flash Point: 447.2±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 135.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -0.27
ACD/LogD (pH 5.5): -2.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.79
Polar Surface Area: 192 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 393.5±3.0 cm3

Click to predict properties on the Chemicalize site


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