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9-[3.beta.-Acetamido-2.beta.-hydroxy-4.alpha.-(hydroxymethyl)cyclopent-1.alpha.-yl]adenine
SpectraBase Compound ID 8wrPQV6byFv
InChI InChI=1S/C13H18N6O3/c1-6(21)18-9-7(3-20)2-8(11(9)22)19-5-17-10-12(14)15-4-16-13(10)19/h4-5,7-9,11,20,22H,2-3H2,1H3,(H,18,21)(H2,14,15,16)/t7-,8-,9-,11+/m0/s1
InChIKey YUNMEALZTPODKV-FTYOSLGDSA-N
Mol Weight 306.33 g/mol
Molecular Formula C13H18N6O3
Exact Mass 306.144038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5A0IKZ6jAyV
Name 9-[3.beta.-Acetamido-2.beta.-hydroxy-4.alpha.-(hydroxymethyl)cyclopent-1.alpha.-yl]adenine
Alternate Name(s) N-[(1S,2S,3S,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentyl]acetamide
CAS Registry Number 61914-33-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N6O3
InChI InChI=1S/C13H18N6O3/c1-6(21)18-9-7(3-20)2-8(11(9)22)19-5-17-10-12(14)15-4-16-13(10)19/h4-5,7-9,11,20,22H,2-3H2,1H3,(H,18,21)(H2,14,15,16)/t7-,8-,9-,11+/m0/s1
InChIKey YUNMEALZTPODKV-FTYOSLGDSA-N
Molecular Weight 306.326 g/mol
SMILES Nc1c2c([n]([C@@]3([C@]([C@]([C@@](C3)(CO)[H])(NC(=O)C)[H])(O)[H])[H])cn2)ncn1
SPLASH splash10-000i-0900000000-2af920b51dfba2ac4a29
Source of Spectrum J-43-2319-0
Wiley ID 1307729