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(+/-)-4beta-(Acetoxymethyl)-1beta-(6-chloro-9-purinyl)-2alpha,3alpha-O-isopropylidene-2alpha,3alpha,4alpha-cyclopentanetriol

View entire compound with spectra: 1 MS (GC)

(+/-)-4beta-(Acetoxymethyl)-1beta-(6-chloro-9-purinyl)-2alpha,3alpha-O-isopropylidene-2alpha,3alpha,4alpha-cyclopentanetriol
SpectraBase Compound ID FUXccYUrY05
InChI InChI=1S/C16H19ClN4O5/c1-8(22)24-5-16(23)4-9(11-12(16)26-15(2,3)25-11)21-7-20-10-13(17)18-6-19-14(10)21/h6-7,9,11-12,23H,4-5H2,1-3H3/t9-,11+,12+,16+/m1/s1
InChIKey XTAYDEGSSHWCKM-LWPSYJQYSA-N
Mol Weight 382.8 g/mol
Molecular Formula C16H19ClN4O5
Exact Mass 382.104397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2abPajYeYa
Name (+/-)-4beta-(Acetoxymethyl)-1beta-(6-chloro-9-purinyl)-2alpha,3alpha-O-isopropylidene-2alpha,3alpha,4alpha-cyclopentanetriol
Alternate Name(s) ((3aS,4S,6R,6aS)-6-(6-chloro-9H-purin-9-yl)-4-hydroxy-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl)methyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19ClN4O5
InChI InChI=1S/C16H19ClN4O5/c1-8(22)24-5-16(23)4-9(11-12(16)26-15(2,3)25-11)21-7-20-10-13(17)18-6-19-14(10)21/h6-7,9,11-12,23H,4-5H2,1-3H3/t9-,11+,12+,16+/m1/s1
InChIKey XTAYDEGSSHWCKM-LWPSYJQYSA-N
Literature Reference DOI 10.1002/hlca.19830660702
Molecular Weight 382.804 g/mol
SMILES O[C@]1([C@@]2([C@]([C@]([n]3cnc4c3ncnc4Cl)(C1)[H])(OC(O2)(C)C)[H])[H])COC(=O)C
SPLASH splash10-0udl-5093000000-a811a32af75b8280785e
Source of Spectrum H-66-1920-13
Wiley ID 1794797