ChemSpider 2D Image | N-{[(1R,2R,3R,7S,7aR)-2-(beta-D-Galactopyranosyloxy)-1,7-dihydroxyhexahydro-1H-pyrrolizin-3-yl]methyl}acetamide | C16H28N2O9

N-{[(1R,2R,3R,7S,7aR)-2-(β-D-Galactopyranosyloxy)-1,7-dihydroxyhexahydro-1H-pyrrolizin-3-yl]methyl}acetamide

  • Molecular FormulaC16H28N2O9
  • Average mass392.401 Da
  • Monoisotopic mass392.179474 Da
  • ChemSpider ID58826210

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

Acetamide, N-[[(1R,2R,3R,7S,7aR)-2-(β-D-galactopyranosyloxy)hexahydro-1,7-dihydroxy-1H-pyrrolizin-3-yl]methyl]- [ACD/Index Name]
N-{[(1R,2R,3R,7S,7aR)-2-(β-D-Galactopyranosyloxy)-1,7-dihydroxyhexahydro-1H-pyrrolizin-3-yl]methyl}acetamid [German] [ACD/IUPAC Name]
N-{[(1R,2R,3R,7S,7aR)-2-(β-D-Galactopyranosyloxy)-1,7-dihydroxyhexahydro-1H-pyrrolizin-3-yl]methyl}acetamide [ACD/IUPAC Name]
N-{[(1R,2R,3R,7S,7aR)-2-(β-D-Galactopyranosyloxy)-1,7-dihydroxyhexahydro-1H-pyrrolizin-3-yl]méthyl}acétamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 732.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.0±6.0 kJ/mol
Flash Point: 396.6±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 90.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -4.90
ACD/LogD (pH 5.5): -5.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 88.0±5.0 dyne/cm
Molar Volume: 249.6±5.0 cm3

Click to predict properties on the Chemicalize site


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