ChemSpider 2D Image | Methyl 2,3,4-tri-O-acetyl-1-O-(2,2,2-trichloroethanimidoyl)-alpha-D-glucopyranuronate | C15H18Cl3NO10

Methyl 2,3,4-tri-O-acetyl-1-O-(2,2,2-trichloroethanimidoyl)-α-D-glucopyranuronate

  • Molecular FormulaC15H18Cl3NO10
  • Average mass478.663 Da
  • Monoisotopic mass476.999634 Da
  • ChemSpider ID18787652

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3S,4S,5R,6R)-2-(Methoxycarbonyl)-6-(2,2,2-trichloro-1-iminoethoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
2,3,4-Tri-O-acétyl-1-O-(2,2,2-trichloroethanimidoyl)-α-D-glucopyranuronate de méthyle [French] [ACD/IUPAC Name]
92420-89-8 [RN]
Methyl 2,3,4-tri-O-acetyl-1-O-(2,2,2-trichloroethanimidoyl)-α-D-glucopyranuronate [ACD/IUPAC Name]
Methyl-2,3,4-tri-O-acetyl-1-O-(2,2,2-trichlorethanimidoyl)-α-D-glucopyranuronat [German] [ACD/IUPAC Name]
α-D-Glucopyranuronic acid, 1-O-(2,2,2-trichloro-1-iminoethyl)-, methyl ester, 2,3,4-triacetate [ACD/Index Name]
[92420-89-8] [RN]
2,3,4-tri-O-acetyl-1-(2,2,2-trichloroethanimidate)-??-D-glucopyranuronic acid methyl ester
2,3,4-Tri-O-acetyl-a-D-glucuronic Acid Methyl Ester, Trichloroacetimidate
2,3,4-TRI-O-ACETYL-A-D-GLUCURONIDE METHYL ESTER TRICHLOROACETIMIDATE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 442.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.0±3.0 kJ/mol
    Flash Point: 221.2±31.5 °C
    Index of Refraction: 1.555
    Molar Refractivity: 96.4±0.5 cm3
    #H bond acceptors: 11
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 3.54
    ACD/LogD (pH 5.5): 2.74
    ACD/BCF (pH 5.5): 70.77
    ACD/KOC (pH 5.5): 734.03
    ACD/LogD (pH 7.4): 2.74
    ACD/BCF (pH 7.4): 70.77
    ACD/KOC (pH 7.4): 734.09
    Polar Surface Area: 148 Å2
    Polarizability: 38.2±0.5 10-24cm3
    Surface Tension: 49.2±7.0 dyne/cm
    Molar Volume: 300.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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