ChemSpider 2D Image | N-(Trimethylsilyl)-9-[2,3,5-tris-O-(trimethylsilyl)pentofuranosyl]-9H-purin-6-amine | C22H45N5O4Si4

N-(Trimethylsilyl)-9-[2,3,5-tris-O-(trimethylsilyl)pentofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC22H45N5O4Si4
  • Average mass555.966 Da
  • Monoisotopic mass555.254883 Da
  • ChemSpider ID457687

More details:

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

9H-Purin-6-amine, N-(trimethylsilyl)-9-[2,3,5-tris-O-(trimethylsilyl)pentofuranosyl]- [ACD/Index Name]
N-(Trimethylsilyl)-9-[2,3,5-tris-O-(trimethylsilyl)pentofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
N-(Trimethylsilyl)-9-[2,3,5-tris-O-(trimethylsilyl)pentofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
N-(Triméthylsilyl)-9-[2,3,5-tris-O-(triméthylsilyl)pentofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
Adenine riboside, (4TMS)
Adenosine, (4TMS)
Adenosine, 2',3',5',N6-tetrakis(O-TMSi)
Adenosine, N-(trimethylsilyl)-2',3',5'-tris-O-(trimethylsilyl)- [ACD/Index Name]
Adenosine-tetrakis(trimethylsilyl)-
Adenosine-tetra-TMS
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Gas Chromatography

    • Retention Index (Kovats):

      2854 (estimated with error: 89) NIST Spectra mainlib_367442, replib_54943
      2647 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 1 m; Column type: Packed; Start T: 230 C; CAS no: 53294330; Active phase: OV-1; Substrate: Gas Chrom Q; Data type: Kovats RI; Authors: Quilliam, M.A.; Westmore, J.B., Sterically crowded trialkylsilyl derivatives for chromatography and mass spectrometry of biologically-important compounds, Anal. Chem., 50(1), 1978, 59-68., Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column type: Packed; Start T: 230 C; CAS no: 53294330; Active phase: OV-1; Carrier gas: N2; Substrate: Gas-Chrom Q; Data type: Kovats RI; Authors: Quilliam, M.A.; Ogilvie, K.K.; Sadana, K.L.; Westmore, J.B., Gas chromatographic retention data for silyl and acyl derivatives of nucleosides, J. Chromatogr., 196, 1980, 367-378.) NIST Spectra nist ri

    • Retention Index (Linear):

      2664 (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: 53294330; 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
      2654 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column length: 6 ft; Column type: Packed; CAS no: 53294330; Active phase: SE-30; Carrier gas: He; Substrate: Chromosorb W; Data type: Linear RI; Authors: Butts, W.C., Gas chromatographic separation of trimethylsilyl (TMS)-nucleosides: TMS-methoxime derivatives of cytidine and deoxycytidine, J. Chromatogr. Sci., 8, 1970, 474-476.) NIST Spectra nist ri

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

Density: 1.1±0.1 g/cm3
Boiling Point: 535.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.4±32.9 °C
Index of Refraction: 1.518
Molar Refractivity: 152.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 6.23
ACD/BCF (pH 5.5): 31435.98
ACD/KOC (pH 5.5): 56540.65
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 33641.99
ACD/KOC (pH 7.4): 60508.38
Polar Surface Area: 93 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 26.0±7.0 dyne/cm
Molar Volume: 502.7±7.0 cm3

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