ChemSpider 2D Image | Ethyl methyl 2,3,4-tri-O-acetyl-beta-D-glucopyranosiduronate | C15H22O10

Ethyl methyl 2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate

  • Molecular FormulaC15H22O10
  • Average mass362.329 Da
  • Monoisotopic mass362.121307 Da
  • ChemSpider ID23934265

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Ethyl methyl 2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate [ACD/IUPAC Name]
Ethyl-methyl-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, ethyl, methyl ester, triacetate [ACD/Index Name]
(2R,3R,4S,5S,6S)-2-ethoxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
77392-66-6 [RN]
BS-17499
Ethyl 2,3,4-tri-O-acetyl-\xa6\xc2-D-glucuronide methyl ester
Ethyl 2,3,4-tri-O-acetyl-ß-D-glucuronide methyl ester
Ethyl 2,3,4-tri-O-acetyl-b-D-glucuronide methyl ester
Ethyl 2,3,4-Tri-O-acetyl-b-D-glucuronide, Methyl Ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 398.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.9±3.0 kJ/mol
    Flash Point: 171.6±27.9 °C
    Index of Refraction: 1.475
    Molar Refractivity: 80.3±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 1.90
    ACD/LogD (pH 5.5): 0.99
    ACD/BCF (pH 5.5): 3.30
    ACD/KOC (pH 5.5): 81.83
    ACD/LogD (pH 7.4): 0.99
    ACD/BCF (pH 7.4): 3.30
    ACD/KOC (pH 7.4): 81.83
    Polar Surface Area: 124 Å2
    Polarizability: 31.8±0.5 10-24cm3
    Surface Tension: 44.0±5.0 dyne/cm
    Molar Volume: 285.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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