ChemSpider 2D Image | 2,3,4,5,6-Pentakis-O-(trimethylsilyl)hexose | C21H52O6Si5

2,3,4,5,6-Pentakis-O-(trimethylsilyl)hexose

  • Molecular FormulaC21H52O6Si5
  • Average mass541.062 Da
  • Monoisotopic mass540.261047 Da
  • ChemSpider ID455573

More details:

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

2,3,4,5,6-Pentakis-O-(trimethylsilyl)hexose [ACD/IUPAC Name]
2,3,4,5,6-Pentakis-O-(trimethylsilyl)hexose [German] [ACD/IUPAC Name]
2,3,4,5,6-Pentakis-O-(triméthylsilyl)hexose [French] [ACD/IUPAC Name]
Hexose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)- [ACD/Index Name]
D-Altrose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)- [ACD/Index Name]
D-Galactose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-
D-Glucose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-
D-Glucose, pentakis-O-(trimethylsilyl)-
D-Glucose, penta-TMS
D-Mannose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Gas Chromatography

    • Retention Index (Kovats):

      1970 (estimated with error: 89) NIST Spectra mainlib_250313, mainlib_79231, mainlib_24818, mainlib_58372, mainlib_24819, mainlib_24822, replib_18303, replib_58370

    • Retention Index (Normal Alkane):

      1934 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.50 mm; Column length: 42 m; Column type: Capillary; Description: 80 0C (0.5 min) ^ 30 0C/min -> 170 0C ^ 3 0C/min -> 220 0C; CAS no: 6736976; Active phase: OV-101; Carrier gas: Helium; Data type: Normal alkane RI; Authors: Binder, R.B.; Haddon, W.F., Analysis of O-methylinositols by gas-liquid chromatography-mass spectrometry, Carbohydrate Research, 129, 1984, 21-32.) NIST Spectra nist ri
      1937 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.50 mm; Column length: 42 m; Column type: Capillary; Description: 60 0C (0.5 min) ^ 30 0C/min -> 170 0C ^ 3 0C/min -> 220 0C; CAS no: 6736976; Active phase: OV-101; Carrier gas: Helium; Data type: Normal alkane RI; Authors: Binder, R.B.; Haddon, W.F., Analysis of O-methylinositols by gas-liquid chromatography-mass spectrometry, Carbohydrate Research, 129, 1984, 21-32.) NIST Spectra nist ri
      1899.3 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.50 mm; Column length: 60 m; Column type: Capillary; CAS no: 6736976; Active phase: SE-30; Carrier gas: He; Data type: Normal alkane RI; Authors: Cranswick, A.M.; Zabkiewicz, J.A., Quantative Analysis of Monosaccharides, Cyclitols, Sucrose, Quinic and Shikimic Acids in Pinus Radiata Extracts on a Glass Support-Coated Open Tubular Capillary Column by Automated Gas Chromatography, J. Chromatogr., 171, 1979, 233-242.) NIST Spectra nist ri
      1983.8 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.50 mm; Column length: 60 m; Column type: Capillary; CAS no: 6736976; Active phase: SE-30; Carrier gas: He; Data type: Normal alkane RI; Authors: Cranswick, A.M.; Zabkiewicz, J.A., Quantative Analysis of Monosaccharides, Cyclitols, Sucrose, Quinic and Shikimic Acids in Pinus Radiata Extracts on a Glass Support-Coated Open Tubular Capillary Column by Automated Gas Chromatography, J. Chromatogr., 171, 1979, 233-242.) NIST Spectra nist ri

    • Retention Index (Linear):

      1930 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Description: 3 min at 100 0C; 100 - 200 0C at 8 deg/min; 1 min at 200 0C; 200 - 280 0C at 5 deg/min; 30 min at 280 0C; CAS no: 6736976; Active phase: DB-1; Carrier gas: He; Phase thickness: 1.0 um; Data type: Linear RI; Authors: Yang, Z.C.; Cashman, J.R., Structure-retention index relationships for derivatized monosaccharides on non-polar gas chromatography columns, J. Chromatogr., 596, 1992, 79-84.) NIST Spectra nist ri
      1926 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 100 C; End T: 290 C; End time: 8 min; Start time: 1 min; CAS no: 6736976; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Fu, X.; Iga, M.; Kimura, M.; Yamaguchi, S., Simplified screening for organic acidemia using GC/MS and dried urine filter paper: a study on neonatal mass screening, Early Hum. Dev., 58, 2000, 41-55.) 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: 430.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 177.9±24.3 °C
Index of Refraction: 1.432
Molar Refractivity: 151.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 11.38
ACD/LogD (pH 5.5): 9.54
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3699681.50
ACD/LogD (pH 7.4): 9.54
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3699681.50
Polar Surface Area: 63 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 21.6±3.0 dyne/cm
Molar Volume: 584.5±3.0 cm3

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