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BUTYL-(+/-)-C-4-(6-AMINO-9H-PURIN-9-YL)-T-2-[(TERT.-BUTOXY)-METHYL]-CYCLOPENTANE-R-1-ACETATE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

BUTYL-(+/-)-C-4-(6-AMINO-9H-PURIN-9-YL)-T-2-[(TERT.-BUTOXY)-METHYL]-CYCLOPENTANE-R-1-ACETATE
SpectraBase Compound ID 7v5mpD2ymV4
InChI InChI=1S/C21H33N5O3/c1-5-6-7-28-17(27)10-14-8-16(9-15(14)11-29-21(2,3)4)26-13-25-18-19(22)23-12-24-20(18)26/h12-16H,5-11H2,1-4H3,(H2,22,23,24)/t14-,15-,16-/m1/s1
InChIKey XJOWXHQJSDETJU-BZUAXINKSA-N
Mol Weight 403.5 g/mol
Molecular Formula C21H33N5O3
Exact Mass 403.25834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6MS1E55DCbO
Name Butyl c-4-(6'-Amino-9'H-purin-9'-yl)-t-2-[(t-butoxy)methyl]cyclopentane-r-1-acetate
Alternate Name(s) Butyl[(1R,2S,4R)-4-(6-amino-9H-purin-9-yl)-2-(tert-butoxymethyl)cyclopentyl]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33N5O3
InChI InChI=1S/C21H33N5O3/c1-5-6-7-28-17(27)10-14-8-16(9-15(14)11-29-21(2,3)4)26-13-25-18-19(22)23-12-24-20(18)26/h12-16H,5-11H2,1-4H3,(H2,22,23,24)/t14-,15-,16-/m1/s1
InChIKey XJOWXHQJSDETJU-BZUAXINKSA-N
Molecular Weight 403.527 g/mol
SMILES Nc1c2c([n](cn2)[C@@]2(C[C@](CC(=O)OCCCC)([C@](C2)(COC(C)(C)C)[H])[H])[H])ncn1
SPLASH splash10-000i-2911000000-6e562e7c37f0ecf6b163
Source of Spectrum H-77-541-10
Wiley ID 1370859