ChemSpider 2D Image | (6R)-3,5-Dideoxy-5-(glycoloylamino)-6-[(2R)-1,2,3-trihydroxypropyl]-alpha-L-erythro-hex-2-ulopyranosonic acid | C11H19NO10

(6R)-3,5-Dideoxy-5-(glycoloylamino)-6-[(2R)-1,2,3-trihydroxypropyl]-α-L-erythro-hex-2-ulopyranosonic acid

  • Molecular FormulaC11H19NO10
  • Average mass325.269 Da
  • Monoisotopic mass325.100891 Da
  • ChemSpider ID24589427

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6R)-3,5-Dideoxy-5-(glycoloylamino)-6-[(2R)-1,2,3-trihydroxypropyl]-α-L-erythro-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
(6R)-3,5-Didesoxy-5-(glycoloylamino)-6-[(2R)-1,2,3-trihydroxypropyl]-α-L-erythro-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
Acide (6R)-3,5-didésoxy-5-[(2-hydroxyacétyl)amino]-6-[(2R)-1,2,3-trihydroxypropyl]-α-L-érythro-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
β-D-talo-2-Nonulopyranosonic acid, 3,5-dideoxy-5-[(2-hydroxyacetyl)amino]- [ACD/Index Name]
(2S,4R,5R,6R)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
(2S,4S,5R,6R)-2,4-Dihydroxy-5-(2-hydroxyacetamido)-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid
MFCD00057551
n-glycoloylneuraminic acid ammonium salt
n-glycolyl neuraminic acid
N-Glycolylneuraminic acid [Wiki]

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 884.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 146.0±6.0 kJ/mol
    Flash Point: 488.6±34.3 °C
    Index of Refraction: 1.645
    Molar Refractivity: 67.2±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 8
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: -3.46
    ACD/LogD (pH 5.5): -6.23
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -6.86
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 197 Å2
    Polarizability: 26.6±0.5 10-24cm3
    Surface Tension: 113.5±5.0 dyne/cm
    Molar Volume: 185.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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