ChemSpider 2D Image | 1,2,3,4,5,6-Hexakis-O-(trimethylsilyl)-L-mannitol | C24H62O6Si6

1,2,3,4,5,6-Hexakis-O-(trimethylsilyl)-L-mannitol

  • Molecular FormulaC24H62O6Si6
  • Average mass615.258 Da
  • Monoisotopic mass614.316223 Da
  • ChemSpider ID457769

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,2,3,4,5,6-Hexakis-O-(trimethylsilyl)-L-mannitol [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Hexakis-O-(trimethylsilyl)-L-mannitol [ACD/IUPAC Name]
1,2,3,4,5,6-Hexakis-O-(triméthylsilyl)-L-mannitol [French] [ACD/IUPAC Name]
L-Mannitol, 1,2,3,4,5,6-hexakis-O-(trimethylsilyl)- [ACD/Index Name]
D-Mannitol, 1,2,3,4,5,6-hexakis-O-(trimethylsilyl)- [ACD/Index Name]

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

  • Gas Chromatography

    • Retention Index (Kovats):

      1979 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 210 C; CAS no: 14317078; 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
      1993.6 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 50 m; Column type: Capillary; Start T: 200 C; CAS no: 14317078; 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

    • Retention Index (Normal Alkane):

      1942.7 (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: 14317078; 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
      1939.7 (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: 14317078; 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
      1973 (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: 3 K/min; Start T: 50 C; End T: 300 C; End time: 30 min; CAS no: 14317078; Active phase: HP-5; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Isidorov, V.A.; Lech, P.; Zolciak, A.; Rusak, N.; Szczepaniak, L., Gas Chromatographic - nass spectrometric investigation of metabolites from the needles and roots of pine seedlings at early stages of pathogenic fungi Armillaria ostoyae attack, Trees, 22, 2008, 531-542.) NIST Spectra nist ri
      1975 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; CAS no: 14317078; Active phase: HP-5; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Isidorov, V.A.; Lech, P.; Zolciak, A.; Rusak, N.; Szczepaniak, L., Gas Chromatographic - nass spectrometric investigation of metabolites from the needles and roots of pine seedlings at early stages of pathogenic fungi Armillaria ostoyae attack, Trees, 22, 2008, 531-542.) NIST Spectra nist ri
      1969 (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: 5 K/min; Start T: 50 C; End T: 300 C; CAS no: 14317078; Active phase: HP-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Isidorov, V.A.; Kotowska, U.; Vinogorova, V.T., GC Identification of organic compounds based on partition coefficients of their TMS derivatives in a hexane-acetonitrile system and retention indices, Anal. Sci., 21(12), 2005, 1483-1489.) NIST Spectra nist ri

    • Retention Index (Linear):

      1912.3 (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: 14317078; 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
      1919 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 14317078; Active phase: Polydimethyl siloxane with 5 % phenyl groups; Data type: Linear RI; Authors: Kempa, S.; Hummel, J.; Schwemmer, T.; Pietzke, M.; Strehmel, N.; Wienkoop, S.; Kopka, J.; Weckwerth, W., An automated GCxGC-TOF-MS protocol for batch-wise extraction and alinmebt of mass isotopomer matrixes from differential 13C-labeling experiments: a case study for photoautotrophic-mixotrophic grown Chlamydomonas reinhardtii cells, J. Basic Microbiol., 49, 2009, 82-91.) NIST Spectra nist ri
      1925.8 (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: 14317078; 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
      1927.7 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 18 K/min; Start T: 80 C; End T: 350 C; End time: 2 min; Start time: 2 min; CAS no: 14317078; 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
      1958 (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: 14317078; 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
      1975 (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: 14317078; 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: 466.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 217.5±29.1 °C
Index of Refraction: 1.431
Molar Refractivity: 175.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 12.47
ACD/LogD (pH 5.5): 10.58
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.58
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 55 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 20.8±3.0 dyne/cm
Molar Volume: 678.8±3.0 cm3

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