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9-(5,6-Dideoxy-2,3-O-isopropylidene-6-(p-toluenesulfonyl)-.beta.-D-ribo-hexofuranosyl)adenine
SpectraBase Compound ID 5xl4GRoNBVl
InChI InChI=1S/C21H25N5O5S/c1-12-4-6-13(7-5-12)32(27,28)9-8-14-16-17(31-21(2,3)30-16)20(29-14)26-11-25-15-18(22)23-10-24-19(15)26/h4-7,10-11,14,16-17,20H,8-9H2,1-3H3,(H2,22,23,24)/t14-,16-,17-,20+/m1/s1
InChIKey RLHHWQFXZTYBNA-OYRIPWCXSA-N
Mol Weight 459.52 g/mol
Molecular Formula C21H25N5O5S
Exact Mass 459.15764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QUvd61n7Gy
Name 9-(5,6-Dideoxy-2,3-O-isopropylidene-6-(p-toluenesulfonyl)-.beta.-D-ribo-hexofuranosyl)adenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N5O5S
InChI InChI=1S/C21H25N5O5S/c1-12-4-6-13(7-5-12)32(27,28)9-8-14-16-17(31-21(2,3)30-16)20(29-14)26-11-25-15-18(22)23-10-24-19(15)26/h4-7,10-11,14,16-17,20H,8-9H2,1-3H3,(H2,22,23,24)/t14-,16-,17-,20+/m1/s1
InChIKey RLHHWQFXZTYBNA-OYRIPWCXSA-N
Molecular Weight 459.521 g/mol
SMILES Nc1c2c([n]([C@@]3([C@]4([C@](OC(O4)(C)C)([C@](O3)(CCS(c3ccc(cc3)C)(=O)=O)[H])[H])[H])[H])cn2)ncn1
SPLASH splash10-0udi-0009500000-51f14a4519d6bb3404cc
Source of Spectrum I-69-337-6
Synonyms 9-[(3aR,4S,6R,6aR)-2,2-dimethyl-6-{2-[(4-methylbenzene)sulfonyl]ethyl}-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-9H-purin-6-amine
Wiley ID 1390179