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2,6-Dichloro-9.beta.-(2',3',5'-tri-O-acetyl)-D-ribofuranosylpurine
SpectraBase Compound ID DAANHD9MFgn
InChI InChI=1S/C16H16Cl2N4O7/c1-5(23)26-4-8-10(27-6(2)24)11(28-7(3)25)12(29-8)15-19-9-13(17)20-16(18)22-14(9)21-15/h8,10-12H,4H2,1-3H3,(H,19,20,21,22)/t8-,10+,11?,12-/m1/s1
InChIKey BDNPCJRMMVICRG-ZLBUMYCKSA-N
Mol Weight 447.23 g/mol
Molecular Formula C16H16Cl2N4O7
Exact Mass 446.039604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LO0zky0j7gc
Name 2,6-Dichloro-9.beta.-(2',3',5'-tri-O-acetyl)-D-ribofuranosylpurine
Alternate Name(s) (5S)-1,3,4-tri-O-acetyl-2,5-anhydro-5-(2,6-dichloro-7H-purin-8-yl)-L-arabinitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16Cl2N4O7
InChI InChI=1S/C16H16Cl2N4O7/c1-5(23)26-4-8-10(27-6(2)24)11(28-7(3)25)12(29-8)15-19-9-13(17)20-16(18)22-14(9)21-15/h8,10-12H,4H2,1-3H3,(H,19,20,21,22)/t8-,10+,11?,12-/m1/s1
InChIKey BDNPCJRMMVICRG-ZLBUMYCKSA-N
Molecular Weight 447.231 g/mol
SMILES [nH]1c(nc2nc(nc(c12)Cl)Cl)[C@]1(C([C@@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])OC(=O)C)[H]
SPLASH splash10-000j-5920000000-4be39e3b1ff56233b530
Source of Spectrum SO-0-671-4
Wiley ID 1537764