ChemSpider 2D Image | β-D-Galactopyranose, 1,6-anhydro-3,4-O-(1-methylethylidene)-, 4-methylbenzenesulfonate | C16H20O7S

β-D-Galactopyranose, 1,6-anhydro-3,4-O-(1-methylethylidene)-, 4-methylbenzenesulfonate

  • Molecular FormulaC16H20O7S
  • Average mass356.391 Da
  • Monoisotopic mass356.092987 Da
  • ChemSpider ID20047234

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2S,6S,7R,8R)-4,4-Dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undec-7-yl 4-methylbenzenesulfonate [ACD/IUPAC Name]
(1R,2S,6S,7R,8R)-4,4-Dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undec-7-yl 4-methylbenzenesulfonate (non-preferred name)
(1R,2S,6S,7R,8R)-4,4-Dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undec-7-yl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
4-Méthylbenzènesulfonate de (1R,2S,6S,7R,8R)-4,4-diméthyl-3,5,9,11-tétraoxatricyclo[6.2.1.02,6]undéc-7-yle [French] [ACD/IUPAC Name]
81028-98-0 [RN]
β-D-Galactopyranose, 1,6-anhydro-3,4-O-(1-methylethylidene)-, 4-methylbenzenesulfonate
β-D-Galactopyranose, 1,6-anhydro-3,4-O-(1-methylethylidene)-, 4-methylbenzenesulfonate
(3aS,4R,7R,8R,8aS)-2,2-dimethylhexahydro-4,7-epoxy[1,3]dioxolo[4,5-d]oxepin-8-yl 4-methylbenzenesulfonate
1,6-Anhydro-3,4-O-isopropylidene-2-O-p-toluenesulfonyl-b-D-galactopyranose
1,6-Anhydro-3,4-O-isopropylidene-2-tosyl-??-D-galactopyranose
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 491.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 72.9±3.0 kJ/mol
    Flash Point: 250.9±28.7 °C
    Index of Refraction: 1.587
    Molar Refractivity: 84.3±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.30
    ACD/LogD (pH 5.5): 2.73
    ACD/BCF (pH 5.5): 70.07
    ACD/KOC (pH 5.5): 728.89
    ACD/LogD (pH 7.4): 2.73
    ACD/BCF (pH 7.4): 70.07
    ACD/KOC (pH 7.4): 728.89
    Polar Surface Area: 89 Å2
    Polarizability: 33.4±0.5 10-24cm3
    Surface Tension: 54.4±5.0 dyne/cm
    Molar Volume: 250.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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