ChemSpider 2D Image | 5-Deoxy-5-[3-(ethoxycarbonyl)-1-piperidinyl]-1,2-O-isopropylidene-alpha-D-xylofuranose | C16H27NO6

5-Deoxy-5-[3-(ethoxycarbonyl)-1-piperidinyl]-1,2-O-isopropylidene-α-D-xylofuranose

  • Molecular FormulaC16H27NO6
  • Average mass329.389 Da
  • Monoisotopic mass329.183838 Da
  • ChemSpider ID29738691

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

5-Deoxy-5-[3-(ethoxycarbonyl)-1-piperidinyl]-1,2-O-isopropylidene-α-D-xylofuranose [ACD/IUPAC Name]
5-Désoxy-5-[3-(éthoxycarbonyl)-1-pipéridinyl]-1,2-O-isopropylidène-α-D-xylofuranose [French] [ACD/IUPAC Name]
5-Desoxy-5-[3-(ethoxycarbonyl)-1-piperidinyl]-1,2-O-isopropyliden-α-D-xylofuranose [German] [ACD/IUPAC Name]
α-D-Xylofuranose, 5-deoxy-5-[3-(ethoxycarbonyl)-1-piperidinyl]-1,2-O-(1-methylethylidene)- [ACD/Index Name]
1-(5-Dezoxy-1,2-isopropylidene-α-D-xylofuranose-5-yl)-(R/S)-
atoms 27 bonds 29
ethyl 1-[[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]piperidine-3-carboxylate
ethyl 1-{[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]methyl}piperidine-3-carboxylate
MFCD11226347

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 437.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.1±6.0 kJ/mol
    Flash Point: 218.2±28.7 °C
    Index of Refraction: 1.502
    Molar Refractivity: 81.7±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.10
    ACD/LogD (pH 5.5): -0.44
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.38
    ACD/LogD (pH 7.4): 1.24
    ACD/BCF (pH 7.4): 3.90
    ACD/KOC (pH 7.4): 66.45
    Polar Surface Area: 77 Å2
    Polarizability: 32.4±0.5 10-24cm3
    Surface Tension: 40.6±3.0 dyne/cm
    Molar Volume: 276.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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