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9H-Purin-6-amine, 9-(5-chloro-5-deoxy-.beta.-D-xylofuranosyl)-
SpectraBase Compound ID AA2913spbWp
InChI InChI=1S/C10H12ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6+,7-,10-/m1/s1
InChIKey IYSNPOMTKFZDHZ-GAWUUDPSSA-N
Mol Weight 285.69 g/mol
Molecular Formula C10H12ClN5O3
Exact Mass 285.062867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADSlvCw8qE8
Name 9H-Purin-6-amine, 9-(5-chloro-5-deoxy-.beta.-D-xylofuranosyl)-
CAS Registry Number 70147-59-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12ClN5O3
InChI InChI=1S/C10H12ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6+,7-,10-/m1/s1
InChIKey IYSNPOMTKFZDHZ-GAWUUDPSSA-N
Molecular Weight 285.691 g/mol
SMILES O[C@]1([C@](O[C@]([C@@]1(O)[H])([n]1c2c(c(N)ncn2)nc1)[H])(CCl)[H])[H]
SPLASH splash10-000i-0920000000-0cf5f76e31ad108c7f5e
Source of Spectrum I-57-281-0
Synonyms (2R,3R,4R,5S)-2-(6-amino-9H-purin-9-yl)-5-(chloromethyl)oxolane-3,4-diol 9-(5-Chloro-5-deoxy-.beta.-D-xylofuranosyl)adenine
Wiley ID 1288681