ChemSpider 2D Image | 4-[(~2~H_3_)Ethanoylamino]phenyl methyl 2,3,4-tri-O-acetyl-beta-D-glucopyranosiduronate | C21H22D3NO11

4-[(2H3)Ethanoylamino]phenyl methyl 2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate

  • Molecular FormulaC21H22D3NO11
  • Average mass470.442 Da
  • Monoisotopic mass470.161591 Da
  • ChemSpider ID73993987

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1260619-58-6 [RN]
4-[(2H3)Ethanoylamino]phenyl methyl 2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate [ACD/IUPAC Name]
4-[(2H3)Ethanoylamino]phenyl-methyl-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
Acetamide-d3, N-[4-[(2,3,4-tri-O-acetyl-6-methyl-β-D-glucopyranuronosyl)oxy]phenyl]- [ACD/Index Name]
MFCD09839813

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 590.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.1±3.0 kJ/mol
    Flash Point: 310.9±30.1 °C
    Index of Refraction: 1.538
    Molar Refractivity: 108.7±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 2.04
    ACD/LogD (pH 5.5): 1.50
    ACD/BCF (pH 5.5): 8.16
    ACD/KOC (pH 5.5): 156.42
    ACD/LogD (pH 7.4): 1.50
    ACD/BCF (pH 7.4): 8.16
    ACD/KOC (pH 7.4): 156.43
    Polar Surface Area: 153 Å2
    Polarizability: 43.1±0.5 10-24cm3
    Surface Tension: 53.4±5.0 dyne/cm
    Molar Volume: 347.5±5.0 cm3

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