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6-Chloro-2-(2'-thienyl)-9.beta.-(2',3',5'-tri-O-acetyl)-D,ribo-furanosylpurine
SpectraBase Compound ID H7g1BD2SQ2E
InChI InChI=1S/C20H19ClN4O7S/c1-9(26)29-7-12-15(30-10(2)27)16(31-11(3)28)20(32-12)25-8-22-14-17(21)23-18(24-19(14)25)13-5-4-6-33-13/h4-6,8,12,15-16,20H,7H2,1-3H3/t12-,15+,16?,20-/m1/s1
InChIKey RNZMLOIMSGLXMN-DBLQAXTHSA-N
Mol Weight 494.91 g/mol
Molecular Formula C20H19ClN4O7S
Exact Mass 494.066298 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2Y9GHQVLOC
Name 6-Chloro-2-(2'-thienyl)-9.beta.-(2',3',5'-tri-O-acetyl)-D,ribo-furanosylpurine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19ClN4O7S
InChI InChI=1S/C20H19ClN4O7S/c1-9(26)29-7-12-15(30-10(2)27)16(31-11(3)28)20(32-12)25-8-22-14-17(21)23-18(24-19(14)25)13-5-4-6-33-13/h4-6,8,12,15-16,20H,7H2,1-3H3/t12-,15+,16?,20-/m1/s1
InChIKey RNZMLOIMSGLXMN-DBLQAXTHSA-N
Molecular Weight 494.906 g/mol
SMILES c12[n](cnc2c(Cl)nc(n1)-c1sccc1)[C@]1(C([C@@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])OC(=O)C)[H]
SPLASH splash10-0007-0000900000-eb51771758d14f6f53c0
Source of Spectrum SO-0-964-2
Wiley ID 1538329