ChemSpider 2D Image | D-Glucopyranosyl thiosemicarbazide | C7H15N3O5S

D-Glucopyranosyl thiosemicarbazide

  • Molecular FormulaC7H15N3O5S
  • Average mass253.276 Da
  • Monoisotopic mass253.073242 Da
  • ChemSpider ID27474169

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

154634-24-9 [RN]
2-[(3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]hydrazincarbothioamid [German] [ACD/IUPAC Name]
2-[(3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]hydrazinecarbothioamide [ACD/IUPAC Name]
2-[(3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]hydrazinecarbothioamide [French] [ACD/IUPAC Name]
D-Glucopyranosyl thiosemicarbazide
2-((3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)hydrazinecarbothioamide
MFCD08703737 [MDL number]
QB-9166

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 522.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 91.6±6.0 kJ/mol
    Flash Point: 269.9±32.9 °C
    Index of Refraction: 1.703
    Molar Refractivity: 58.2±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 8
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: -1.42
    ACD/LogD (pH 5.5): -2.09
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.75
    ACD/LogD (pH 7.4): -2.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.75
    Polar Surface Area: 172 Å2
    Polarizability: 23.1±0.5 10-24cm3
    Surface Tension: 115.4±5.0 dyne/cm
    Molar Volume: 150.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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