ChemSpider 2D Image | Bis(trimethylsilyl) N,N'-bis(trimethylsilyl)cystinate | C18H44N2O4S2Si4

Bis(trimethylsilyl) N,N'-bis(trimethylsilyl)cystinate

  • Molecular FormulaC18H44N2O4S2Si4
  • Average mass529.025 Da
  • Monoisotopic mass528.181946 Da
  • ChemSpider ID461826

More details:

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

Bis(trimethylsilyl) N,N'-bis(trimethylsilyl)cystinate [ACD/IUPAC Name]
Bis(trimethylsilyl)-N,N'-bis(trimethylsilyl)cystinat [German] [ACD/IUPAC Name]
Cystine, N,N'-bis(trimethylsilyl)-, bis(trimethylsilyl) ester [ACD/Index Name]
N,N'-Bis(triméthylsilyl)cystinate de bis(triméthylsilyle) [French] [ACD/IUPAC Name]
Bis(trimethylsilyl) 2,2,11,11-tetramethyl-6,7-dithia-3,10-diaza-2,11-disiladodecane-4,9-dicarboxylate
Cystine (N,N',O,O-tetra-TMS)
L-Cystine, N,N'-bis(trimethylsilyl)-, bis(trimethylsilyl) ester [ACD/Index Name]
L-Cystine, N,N'-bis-TMS, O,O-bist-TMS ester
N,N'o,o'-Tetra-(trimethylsilyl)cystine

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

  • Gas Chromatography

    • Retention Index (Kovats):

      2555 (estimated with error: 89) NIST Spectra mainlib_333695, replib_18254

    • Retention Index (Normal Alkane):

      2326 (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: 4 K/min; Start T: 70 C; End T: 280 C; End time: 3 min; Start time: 3 min; CAS no: 69688444; Active phase: HP-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Lee, B.Y.; Yanamandra, K.; Thurmon, T.F., Quantitative estimation of organic analytes with a capillary column, Am. Clin. Lab., , 2002, 30-34.) NIST Spectra nist ri

    • Retention Index (Linear):

      2312 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column length: 6 ft; Column type: Packed; Heat rate: 10 K/min; Start T: 100 C; End T: 325 C; CAS no: 69688444; Active phase: OV-1; Carrier gas: He; Substrate: Chromosorb W HP (80-100 mesh); Data type: Linear RI; Authors: Butts, W.C., Two-Column Gas Chromatography of Trimethylsilyl Derivatives of Biochemically Significant Compounds, Anal. Biochemistry, 46, 1972, 187-199.) NIST Spectra nist ri
      2279.2 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: Multi-step temperature program; T(initial)=60C; T(final)=270C; CAS no: 69688444; Active phase: VF-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., 2007.) NIST Spectra nist ri
      2289.8 (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: 69688444; 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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 447.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 224.3±28.7 °C
Index of Refraction: 1.475
Molar Refractivity: 147.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.57
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 13.55
ACD/KOC (pH 5.5): 15.45
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 474.30
ACD/KOC (pH 7.4): 540.80
Polar Surface Area: 127 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 26.7±3.0 dyne/cm
Molar Volume: 521.9±3.0 cm3

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