ChemSpider 2D Image | Dimethyl 5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonate | C13H23NO9

Dimethyl 5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranosidonate

  • Molecular FormulaC13H23NO9
  • Average mass337.323 Da
  • Monoisotopic mass337.137268 Da
  • ChemSpider ID64852235

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

5-Acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranosidonate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranosidonate [ACD/IUPAC Name]
Dimethyl-5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranosidonat [German] [ACD/IUPAC Name]
α-D-gluco-2-Nonulopyranosidonic acid, methyl 5-(acetylamino)-3,5-dideoxy-, methyl ester, (6ξ)- [ACD/Index Name]
(2R,4S,5R)-methyl 5-acetamido-4-hydroxy-2-methoxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylate
(2R,4S,5R)-methyl 5-acetamido-4-hydroxy-2-methoxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylate(WXG01420)

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 657.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.5 mmHg at 25°C
    Enthalpy of Vaporization: 110.9±6.0 kJ/mol
    Flash Point: 351.6±31.5 °C
    Index of Refraction: 1.546
    Molar Refractivity: 75.3±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: -1.84
    ACD/LogD (pH 5.5): -1.78
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.56
    ACD/LogD (pH 7.4): -1.78
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.56
    Polar Surface Area: 155 Å2
    Polarizability: 29.9±0.5 10-24cm3
    Surface Tension: 64.8±5.0 dyne/cm
    Molar Volume: 237.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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