ChemSpider 2D Image | 6-[(3R,4R,5R)-3,4,5-Trihydroxy-2-(hydroxymethyl)-1-piperidinyl]hexanoic acid | C12H23NO6

6-[(3R,4R,5R)-3,4,5-Trihydroxy-2-(hydroxymethyl)-1-piperidinyl]hexanoic acid

  • Molecular FormulaC12H23NO6
  • Average mass277.314 Da
  • Monoisotopic mass277.152527 Da
  • ChemSpider ID23976241

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-Piperidinehexanoic acid, 3,4,5-trihydroxy-2-(hydroxymethyl)-, (3R,4R,5R)- [ACD/Index Name]
6-[(3R,4R,5R)-3,4,5-Trihydroxy-2-(hydroxymethyl)-1-piperidinyl]hexanoic acid [ACD/IUPAC Name]
6-[(3R,4R,5R)-3,4,5-Trihydroxy-2-(hydroxymethyl)-1-piperidinyl]hexansäure [German] [ACD/IUPAC Name]
Acide 6-[(3R,4R,5R)-3,4,5-trihydroxy-2-(hydroxyméthyl)-1-pipéridinyl]hexanoïque [French] [ACD/IUPAC Name]
1219117-33-5 [RN]
6-[(3R,4R,5R)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexanoic acid
79206-51-2 [RN]
N-5-Carboxypentyl-1-deoxynojirimycin

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 534.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 93.2±6.0 kJ/mol
    Flash Point: 276.9±30.1 °C
    Index of Refraction: 1.567
    Molar Refractivity: 67.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 5
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: -0.58
    ACD/LogD (pH 5.5): -3.41
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.86
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 121 Å2
    Polarizability: 26.6±0.5 10-24cm3
    Surface Tension: 68.0±3.0 dyne/cm
    Molar Volume: 205.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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