ChemSpider 2D Image | [(2R,3R,4R,5S)-1-Butyl-3,4,5-trihydroxy-2-piperidinyl]methyl beta-D-glucopyranosiduronic acid | C16H29NO10

[(2R,3R,4R,5S)-1-Butyl-3,4,5-trihydroxy-2-piperidinyl]methyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC16H29NO10
  • Average mass395.402 Da
  • Monoisotopic mass395.179138 Da
  • ChemSpider ID107443829

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(2R,3R,4R,5S)-1-Butyl-3,4,5-trihydroxy-2-piperidinyl]methyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
[(2R,3R,4R,5S)-1-Butyl-3,4,5-trihydroxy-2-piperidinyl]methyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de [(2R,3R,4R,5S)-1-butyl-3,4,5-trihydroxy-2-pipéridinyl]méthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, [(2R,3R,4R,5S)-1-butyl-3,4,5-trihydroxy-2-piperidinyl]methyl [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 676.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.7±6.0 kJ/mol
Flash Point: 363.0±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 90.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.46
ACD/LogD (pH 5.5): -5.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 86.2±5.0 dyne/cm
Molar Volume: 257.6±5.0 cm3

Click to predict properties on the Chemicalize site


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