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9-[(1'.beta.,3'.alpha.,4'.beta.)-4'-(Diethylphosphono)methoxy-3'-acetoxycyclopentyl]-2-acetylamino-6-chloropurine
SpectraBase Compound ID 5HnYhCKv2iG
InChI InChI=1S/C19H27ClN5O7P/c1-5-30-33(28,31-6-2)10-29-14-7-13(8-15(14)32-12(4)27)25-9-21-16-17(20)23-19(22-11(3)26)24-18(16)25/h9,13-15H,5-8,10H2,1-4H3,(H,22,23,24,26)/t13-,14+,15+/m0/s1
InChIKey BWJUVOSCGDRUCP-RRFJBIMHSA-N
Mol Weight 503.88 g/mol
Molecular Formula C19H27ClN5O7P
Exact Mass 503.133663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7k7BCn6uGp
Name 9-[(1'.beta.,3'.alpha.,4'.beta.)-4'-(Diethylphosphono)methoxy-3'-acetoxycyclopentyl]-2-acetylamino-6-chloropurine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27ClN5O7P
InChI InChI=1S/C19H27ClN5O7P/c1-5-30-33(28,31-6-2)10-29-14-7-13(8-15(14)32-12(4)27)25-9-21-16-17(20)23-19(22-11(3)26)24-18(16)25/h9,13-15H,5-8,10H2,1-4H3,(H,22,23,24,26)/t13-,14+,15+/m0/s1
InChIKey BWJUVOSCGDRUCP-RRFJBIMHSA-N
Molecular Weight 503.880 g/mol
SMILES N(c1nc2[n](cnc2c(Cl)n1)[C@@]1(C[C@@](OC(=O)C)([C@@](C1)(OCP(=O)(OCC)OCC)[H])[H])[H])C(=O)C
SPLASH splash10-0pe9-9900000000-c384e1b8988f327ff783
Source of Spectrum PS-0-2743-19
Synonyms (1R,2R,4R)-4-[2-(acetylamino)-6-chloro-9H-purin-9-yl]-2-[(diethoxyphosphoryl)methoxy]cyclopentyl acetate
Wiley ID 786860