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2-Iodo-6-amino-9.beta-(2,3,5-tri-O-acetyl-D-ribofuranosyl)-purine

View entire compound with spectra: 1 MS (GC)

2-Iodo-6-amino-9.beta-(2,3,5-tri-O-acetyl-D-ribofuranosyl)-purine
SpectraBase Compound ID Alc3OV08iro
InChI InChI=1S/C16H18IN5O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(18)20-16(17)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3,(H2,18,20,21)/t9-,11-,12-,15-/m1/s1
InChIKey JLLHAXZCWLNBAL-SDBHATRESA-N
Mol Weight 519.25 g/mol
Molecular Formula C16H18IN5O7
Exact Mass 519.025093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6qN8JvHc138
Name 2-Iodo-6-amino-9.beta-(2,3,5-tri-O-acetyl-D-ribofuranosyl)-purine
Alternate Name(s) 2-Iodo-6-amino-9..beta.-(2,3,5-tri-O-acetyl-D-ribofuranosyl)-purine
CAS Registry Number 94042-04-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18IN5O7
InChI InChI=1S/C16H18IN5O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(18)20-16(17)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3,(H2,18,20,21)/t9-,11-,12-,15-/m1/s1
InChIKey JLLHAXZCWLNBAL-SDBHATRESA-N
Molecular Weight 519.252 g/mol
SMILES Nc1nc(nc2[n]([C@]3([C@@]([C@](OC(=O)C)([C@](O3)(COC(=O)C)[H])[H])(OC(=O)C)[H])[H])cnc12)I
SPLASH splash10-000i-0930000000-744aee46bd32f69afd62
Source of Spectrum J-50-407-5
Wiley ID 1401808