ChemSpider 2D Image | (1S)-1,5-Anhydro-2,3,4,6-tetra-O-benzyl-1-ethynyl-D-glucitol | C36H36O5

(1S)-1,5-Anhydro-2,3,4,6-tetra-O-benzyl-1-ethynyl-D-glucitol

  • Molecular FormulaC36H36O5
  • Average mass548.668 Da
  • Monoisotopic mass548.256287 Da
  • ChemSpider ID9159657

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-2,3,4,6-tetra-O-benzyl-1-ethinyl-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2,3,4,6-tetra-O-benzyl-1-ethynyl-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2,3,4,6-tétra-O-benzyl-1-éthynyl-D-glucitol [French] [ACD/IUPAC Name]
D-glycero-D-gulo-Oct-1-ynitol, 3,7-anhydro-1,2-dideoxy-4,5,6,8-tetrakis-O-(phenylmethyl)- [ACD/Index Name]
(2R,3R,4R,5S,6S)-3,4,5-tris(benzyloxy)-2-((benzyloxy)methyl)-6-ethynyltetrahydro-2H-pyran
(2S,3S,4R,5R,6R)-2-Ethynyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
168253-07-4 [RN]
2,3,4,6-tetra-O-benzyl-1-deoxy-1-ethynyl-??-D-glucopyranose
2-C-(2,3,4,6-Tetra-O-benzyl-b-D-glucopyranosyl) ethyne
MFCD22124247

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 653.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 92.8±3.0 kJ/mol
    Flash Point: 246.6±31.4 °C
    Index of Refraction: 1.613
    Molar Refractivity: 160.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 2
    ACD/LogP: 9.41
    ACD/LogD (pH 5.5): 7.86
    ACD/BCF (pH 5.5): 553051.94
    ACD/KOC (pH 5.5): 448996.69
    ACD/LogD (pH 7.4): 7.86
    ACD/BCF (pH 7.4): 553051.94
    ACD/KOC (pH 7.4): 448996.69
    Polar Surface Area: 46 Å2
    Polarizability: 63.8±0.5 10-24cm3
    Surface Tension: 53.0±5.0 dyne/cm
    Molar Volume: 462.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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