ChemSpider 2D Image | 1,2,3,4,6-Pentakis-O-(trimethylsilyl)-beta-D-glucopyranose | C21H52O6Si5

1,2,3,4,6-Pentakis-O-(trimethylsilyl)-β-D-glucopyranose

  • Molecular FormulaC21H52O6Si5
  • Average mass541.062 Da
  • Monoisotopic mass540.261047 Da
  • ChemSpider ID20035255

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1,2,3,4,6-Pentakis-O-(trimethylsilyl)-β-D-glucopyranose [ACD/IUPAC Name]
1,2,3,4,6-Pentakis-O-(trimethylsilyl)-β-D-glucopyranose [German] [ACD/IUPAC Name]
1,2,3,4,6-Pentakis-O-(triméthylsilyl)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1,2,3,4,6-pentakis-O-(trimethylsilyl)-
β-D-Glucopyranose, 1,2,3,4,6-pentakis-O-(trimethylsilyl)- [ACD/Index Name]

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

  • Gas Chromatography

    • Retention Index (Kovats):

      2012 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 210 C; CAS no: 2775908; Active phase: SE-30; Carrier gas: N2; Substrate: Supelcoport (80-100mesh); Data type: Kovats RI; Authors: Saura-Calixto, F.; Canellas, J.; Garcia-Raso, A., Gas chromatograph analysis of surgars and sugar-alcohols in the mesocarp, endocarp, and kernel of almond fruit, J. Agric. Food Chem., 32, 1984, 1018-1020.) NIST Spectra nist ri
      2022 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.18 mm; Column length: 40 m; Column type: Capillary; Start T: 180 C; CAS no: 2775908; Active phase: SE-54; Substrate: Supelcoport; Data type: Kovats RI; Authors: Martinez-Castro, I.; Paez, M.I.; Sanz, J.; Garcia-Raso, A., Gas Chromatographic Behaviour of Carbohydrate Trimethylsilyl Ethers. II. Aldohexoses, J. Chromatogr., 462, 1989, 49-60.) NIST Spectra nist ri
      1972 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.22 mm; Column length: 25 m; Column type: Capillary; Start T: 160 C; CAS no: 2775908; Active phase: Carbowax 20M; Substrate: Chrompack; Data type: Kovats RI; Authors: Martinez-Castro, I.; Paez, M.I.; Sanz, J.; Garcia-Raso, A., Gas Chromatographic Behaviour of Carbohydrate Trimethylsilyl Ethers. II. Aldohexoses, J. Chromatogr., 462, 1989, 49-60.) NIST Spectra nist ri

    • Retention Index (Normal Alkane):

      2009.5 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column length: 6 ft; Column type: Packed; Heat rate: 4 K/min; Start T: 100 C; End T: 220 C; Start time: 2 min; CAS no: 2775908; Active phase: SE-30; Carrier gas: He; Substrate: Chromororb W; Data type: Normal alkane RI; Authors: Wolfrom, M.L.; Kashimura, N.; Horton, D., Detection of Maillard browning reaction products as trimethylsilyl derivatives by gas-liquid chromatography, J. Agric. Food Chem., 22(5), 1974, 791-795.) NIST Spectra nist ri

    • Retention Index (Linear):

      1971.3 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Start T: 60 C; End T: 270 C; CAS no: 2775908; Active phase: VF-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Tretyakov, K.V., Retention Data (March 2011). NIST Mass Spectrometry Data Center., 2011.) NIST Spectra nist ri

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

Density: 0.9±0.1 g/cm3
Boiling Point: 432.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 193.9±29.1 °C
Index of Refraction: 1.443
Molar Refractivity: 151.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.58
ACD/LogD (pH 5.5): 7.49
ACD/BCF (pH 5.5): 288985.78
ACD/KOC (pH 5.5): 282143.13
ACD/LogD (pH 7.4): 7.49
ACD/BCF (pH 7.4): 288985.78
ACD/KOC (pH 7.4): 282143.13
Polar Surface Area: 55 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 23.2±5.0 dyne/cm
Molar Volume: 571.4±5.0 cm3

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