ChemSpider 2D Image | 1,2,3,4,5-Pentakis-O-(trimethylsilyl)-D-xylitol | C20H52O5Si5

1,2,3,4,5-Pentakis-O-(trimethylsilyl)-D-xylitol

  • Molecular FormulaC20H52O5Si5
  • Average mass513.051 Da
  • Monoisotopic mass512.266113 Da
  • ChemSpider ID20035142

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,2,3,4,5-Pentakis-O-(trimethylsilyl)-D-xylitol [ACD/IUPAC Name]
1,2,3,4,5-Pentakis-O-(trimethylsilyl)-D-xylitol [German] [ACD/IUPAC Name]
1,2,3,4,5-Pentakis-O-(triméthylsilyl)-D-xylitol [French] [ACD/IUPAC Name]
D-Xylitol, 1,2,3,4,5-pentakis-O-(trimethylsilyl)- [ACD/Index Name]
Xylitol, 1,2,3,4,5-pentakis-O-(trimethylsilyl)-

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

  • Gas Chromatography

    • Retention Index (Kovats):

      1744.5 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 50 m; Column type: Capillary; Start T: 200 C; CAS no: 14199725; Active phase: OV-101; Data type: Kovats RI; Authors: Adam, S., Separation of mono- and di-saccharide derivatives by high-resolution gas chromatography, Z. Lebensm. Unters. Forsch., 173, 1981, 109-112.) NIST Spectra nist ri
      1739 (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: 6 K/min; Start T: 65 C; End T: 300 C; End time: 15 min; Start time: 2 min; CAS no: 14199725; Active phase: DB-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Medeiros, P.M.; Simoneit, B.R.T., Analysis of sugars in environmental samples by gas chromatography-mass spectrometry, J. Chromatogr. A, 1141, 2007, 271-278.) NIST Spectra nist ri

    • Retention Index (Normal Alkane):

      1758.1 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.25 mm; Column length: 15 m; Column type: Capillary; Description: 130-190 0C at 4 deg/min; hold 190 0C for 0.5 min; 190-250 0C at 10 deg/min; hold 250 0C for 38.5 min; CAS no: 14199725; Active phase: DB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Chapman, G.W., Jr.; Horvat, R.J., Determination of nonvolatile acids and sugars from fruit and sweet potato extracts by capillary GLC and GLC/MS, J. Agric. Food Chem., 37(4), 1989, 947-950.) NIST Spectra nist ri

    • Retention Index (Linear):

      1682.7 (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: 14199725; 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
      1703.7 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.18 mm; Column length: 10 m; Column type: Capillary; Heat rate: 40 K/min; Start T: 70 C; End T: 320 C; End time: 2 min; Start time: 2 min; CAS no: 14199725; Active phase: DB-5MS; Phase thickness: 0.18 um; Data type: Linear RI; Authors: Jonsson, P.; Johansson, A.I.; Gullberg, J.; Trygg, J.; Jiye, A.; Grung, B.; Marklund, S.; Sjostrom, M.; Antti, H.; Moritz, T., High-throughput data analysis for detecting and identifying differences between samples in GC/MS-based metabolomic analyses, Anal. Chem., 77, 2005, 5635-5642.) NIST Spectra nist ri
      1710 (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: 18 K/min; Start T: 80 C; End T: 350 C; End time: 2 min; Start time: 2 min; CAS no: 14199725; Active phase: RTX-5Sil; Data type: Linear RI; Authors: Wagner, C.; Sefkow, M.; Kopka, J., Construction and application of a mass spectral and retention time index database generated from plant GC/EI-TOF-MS metabolite profiles, Phytochemistry, 62, 2003, 887-900.) NIST Spectra nist ri
      1748 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.20 mm; Column length: 50 m; Column type: Capillary; Description: 115 0C ^ 3 0C/min -> 180 0C ^ 4 0C/min -> 250 0C; CAS no: 14199725; Active phase: HP-5; Carrier gas: H2; Data type: Linear RI; Authors: Madaj, J.; Wisniewski, A.; Skorupowa, E.; Sokolowski, J., Capillary gas chromatographic separations of a multicomponent mixture of polyalcohol compounds, J. Chromatogr. A, 655, 1993, 267-273.) 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: 399.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.4±3.0 kJ/mol
Flash Point: 180.1±28.3 °C
Index of Refraction: 1.429
Molar Refractivity: 146.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 10.11
ACD/LogD (pH 5.5): 8.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1345101.63
ACD/LogD (pH 7.4): 8.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1345101.63
Polar Surface Area: 46 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 20.5±3.0 dyne/cm
Molar Volume: 570.3±3.0 cm3

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