ChemSpider 2D Image | 4-Ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thio-beta-D-glucopyranoside | C23H29N5O8S

4-Ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thio-β-D-glucopyranoside

  • Molecular FormulaC23H29N5O8S
  • Average mass535.570 Da
  • Monoisotopic mass535.173706 Da
  • ChemSpider ID17474605

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Acétamido-3,4,6-tri-O-acétyl-2-désoxy-1-thio-β-D-glucopyranoside de 4-éthyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yle [French] [ACD/IUPAC Name]
4-Ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thio-β-D-glucopyranoside [ACD/IUPAC Name]
4-Ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl-2-acetamido-3,4,6-tri-O-acetyl-2-desoxy-1-thio-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 2-(acetylamino)-2-deoxy-1-thio-, 3,4,6-triacetate [ACD/Index Name]
[(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]oxan-2-yl]methyl acetate
956950-42-8 [RN]
Acetic acid 3-acetoxy-2-acetoxymethyl-5-acetylamino-6-(4-ethyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-tetrahydro-pyran-4-yl ester

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.634
    Molar Refractivity: 132.9±0.5 cm3
    #H bond acceptors: 13
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 2.41
    ACD/LogD (pH 5.5): 1.61
    ACD/BCF (pH 5.5): 9.79
    ACD/KOC (pH 5.5): 178.15
    ACD/LogD (pH 7.4): 1.61
    ACD/BCF (pH 7.4): 9.79
    ACD/KOC (pH 7.4): 178.17
    Polar Surface Area: 186 Å2
    Polarizability: 52.7±0.5 10-24cm3
    Surface Tension: 52.9±7.0 dyne/cm
    Molar Volume: 371.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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