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(2R,3S)-4-(6-chloranylpurin-9-yl)-1-diphenylphosphoryl-2-methyl-butane-2,3-diol
SpectraBase Compound ID 6KRPhbR0YqM
InChI InChI=1S/C22H22ClN4O3P/c1-22(29,18(28)12-27-15-26-19-20(23)24-14-25-21(19)27)13-31(30,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14-15,18,28-29H,12-13H2,1H3/t18-,22-/m0/s1
InChIKey XQRQOORTPQXLFA-AVRDEDQJSA-N
Mol Weight 456.87 g/mol
Molecular Formula C22H22ClN4O3P
Exact Mass 456.111805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Huxxi7bPj17
Name (2R,3S)-4-(6-chloranylpurin-9-yl)-1-diphenylphosphoryl-2-methyl-butane-2,3-diol
Alternate Name(s) (2R,3S)-4-(6-chloro-9-purinyl)-1-diphenylphosphoryl-2-methylbutane-2,3-diol (2R,3S)-4-(6-chloropurin-9-yl)-1-diphenylphosphoryl-2-methyl-butane-2,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22ClN4O3P
InChI InChI=1S/C22H22ClN4O3P/c1-22(29,18(28)12-27-15-26-19-20(23)24-14-25-21(19)27)13-31(30,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14-15,18,28-29H,12-13H2,1H3/t18-,22-/m0/s1
InChIKey XQRQOORTPQXLFA-AVRDEDQJSA-N
Molecular Weight 456.870 g/mol
SMILES O[C@]([C@](C[n]1c2c(c(Cl)ncn2)nc1)(O)[H])(CP(=O)(c1ccccc1)c1ccccc1)C
SPLASH splash10-0udi-0090000000-fc3fad873d9ee7312662
Source of Spectrum KC-0-1933-94
Wiley ID 784163