ChemSpider 2D Image | 5-O-Acetyl-1,2-O-isopropylidene-3-O-methyl-6-S-phenyl-6-thio-alpha-D-glucofuranose | C18H24O6S

5-O-Acetyl-1,2-O-isopropylidene-3-O-methyl-6-S-phenyl-6-thio-α-D-glucofuranose

  • Molecular FormulaC18H24O6S
  • Average mass368.445 Da
  • Monoisotopic mass368.129364 Da
  • ChemSpider ID21500150

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1S)-1-[(3aR,5S,6S,6aR)-6-Methoxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(phenylsulfanyl)ethyl acetate
(1S)-1-[(3aR,5S,6S,6aR)-6-Methoxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(phenylsulfanyl)ethylacetat
5-O-Acetyl-1,2-O-isopropyliden-3-O-methyl-6-S-phenyl-6-thio-α-D-glucofuranose [German] [ACD/IUPAC Name]
5-O-Acetyl-1,2-O-isopropylidene-3-O-methyl-6-S-phenyl-6-thio-α-D-glucofuranose [ACD/IUPAC Name]
5-O-Acétyl-1,2-O-isopropylidène-3-O-méthyl-6-S-phényl-6-thio-α-D-glucofuranose [French] [ACD/IUPAC Name]
α-D-Glucofuranose, 3-O-methyl-1,2-O-(1-methylethylidene)-6-S-phenyl-6-thio-, acetate [ACD/Index Name]
[1-[(3aR,5S,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylsulfanylethyl] acetate
1-[(3aR,5S,6S,6aR)-6-Methoxy-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2-(phenylsulfanyl)ethyl acetate
1-[(3aR,5S,6S,6aR)-6-methoxy-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(phenylsulfanyl)ethyl acetate
MFCD12547084

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 468.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.0±3.0 kJ/mol
    Flash Point: 225.2±16.7 °C
    Index of Refraction: 1.559
    Molar Refractivity: 95.0±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.23
    ACD/LogD (pH 5.5): 3.75
    ACD/BCF (pH 5.5): 420.03
    ACD/KOC (pH 5.5): 2626.33
    ACD/LogD (pH 7.4): 3.75
    ACD/BCF (pH 7.4): 420.03
    ACD/KOC (pH 7.4): 2626.33
    Polar Surface Area: 89 Å2
    Polarizability: 37.6±0.5 10-24cm3
    Surface Tension: 47.2±5.0 dyne/cm
    Molar Volume: 294.1±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement