ChemSpider 2D Image | 1-({(2R,3S,4R,5S)-3,4-Dihydroxy-5-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]tetrahydro-2-furanyl}methyl)-3-isopropylurea | C17H31N3O5

1-({(2R,3S,4R,5S)-3,4-Dihydroxy-5-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]tetrahydro-2-furanyl}methyl)-3-isopropylurea

  • Molecular FormulaC17H31N3O5
  • Average mass357.445 Da
  • Monoisotopic mass357.226379 Da
  • ChemSpider ID21387357

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-({(2R,3S,4R,5S)-3,4-Dihydroxy-5-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]tetrahydro-2-furanyl}methyl)-3-isopropylharnstoff [German] [ACD/IUPAC Name]
1-({(2R,3S,4R,5S)-3,4-Dihydroxy-5-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]tetrahydro-2-furanyl}methyl)-3-isopropylurea [ACD/IUPAC Name]
1-({(2R,3S,4R,5S)-3,4-Dihydroxy-5-[2-(4-méthyl-1-pipéridinyl)-2-oxoéthyl]tétrahydro-2-furanyl}méthyl)-3-isopropylurée [French] [ACD/IUPAC 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: 631.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.0±6.0 kJ/mol
Flash Point: 335.6±28.7 °C
Index of Refraction: 1.525
Molar Refractivity: 92.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.15
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.15
Polar Surface Area: 111 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 300.7±3.0 cm3

Click to predict properties on the Chemicalize site


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