ChemSpider 2D Image | MFCD00171727 | C24H62O6Si6

MFCD00171727

  • Molecular FormulaC24H62O6Si6
  • Average mass615.258 Da
  • Monoisotopic mass614.316223 Da
  • ChemSpider ID20035146

  • 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)-D-galactitol [ACD/IUPAC Name]
1,2,3,4,5,6-Hexakis-O-(trimethylsilyl)-D-galactitol [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Hexakis-O-(triméthylsilyl)-D-galactitol [French] [ACD/IUPAC Name]
18919-39-6 [RN]
D-Galactitol, 1,2,3,4,5,6-hexakis-O-(trimethylsilyl)- [ACD/Index Name]
Galactitol, 1,2,3,4,5,6-hexakis-O-(trimethylsilyl)-
MFCD00171727
Trimethylsilyldulcitol

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

  • Gas Chromatography

    • Retention Index (Kovats):

      1984 (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: 18919396; 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 (Linear):

      1980 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.15 mm; Column length: 25 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 90 C; End T: 270 C; End time: 7 min; Start time: 1 min; CAS no: 18919396; Active phase: CP Sil 5 CB; Phase thickness: 0.12 um; Data type: Linear RI; Authors: Halket, J.N.; Przyborowska, A.; Stein, S.E.; Mallard, W.G.; Down, S.; Chalmers, R., Deconvolution gas chromatography / mass spectrometry of urinary organic acids - potential for pattern recognition and automated identification of metabolic disorders, Rapid Commun. Mass spectrom., 13, 1999, 279-284.) NIST Spectra nist ri
      1935.5 (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: 18919396; 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
      1903 (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: 18919396; 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
      1944 (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: 18919396; 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
      1988 (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: 18919396; 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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