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(2R,3S)-4-(6-Chloro-purin-1-yl)-1-(diphenyl-phosphinoyl)-2-methyl-butane-2,3-diol
SpectraBase Compound ID Lu3WgMGQ59p
InChI InChI=1S/C22H22ClN4O3P/c1-22(29,18(28)12-27-15-26-21-19(20(27)23)24-14-25-21)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 SDNQDNDDORZXTC-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 4Jh7LdReZOY
Name (2R,3S)-4-(6-Chloro-purin-1-yl)-1-(diphenyl-phosphinoyl)-2-methyl-butane-2,3-diol
Alternate Name(s) (2R,3S)-4-(6-chloro-1H-purin-1-yl)-1-(diphenylphosphoryl)-2-methyl-2,3-butanediol (2SR,3RS)-1-(6-Chloropurin-1-yl)-4-diphenylphosphinoyl-3-methylbutan-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)12-27-15-26-21-19(20(27)23)24-14-25-21)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 SDNQDNDDORZXTC-AVRDEDQJSA-N
Molecular Weight 456.870 g/mol
SMILES O[C@]([C@](CN1C(=C2C(N=C1)=NC=N2)Cl)(O)[H])(CP(=O)(c1ccccc1)c1ccccc1)C
SPLASH splash10-0uxr-0090000000-1ea85437e2c1ab1cf096
Source of Spectrum KC-0-1933-95
Wiley ID 784162