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2-O-[(1'.beta.,3'.alpha.,4'.beta.)-4'-(Diethylphosphono)methoxy-3'-hydroxycyclopentyl]-3-N-benzoylthymine
SpectraBase Compound ID 5dMI3X8Gllp
InChI InChI=1S/C22H29N2O8P/c1-4-30-33(28,31-5-2)14-29-19-12-17(11-18(19)25)32-22-23-13-15(3)20(26)24(22)21(27)16-9-7-6-8-10-16/h6-10,13,17-19,25H,4-5,11-12,14H2,1-3H3/t17-,18-,19-/m1/s1
InChIKey VHRJAMVRENWIFD-GUDVDZBRSA-N
Mol Weight 480.45 g/mol
Molecular Formula C22H29N2O8P
Exact Mass 480.166153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AQ3VkRcUdvb
Name 2-O-[(1'.beta.,3'.alpha.,4'.beta.)-4'-(Diethylphosphono)methoxy-3'-hydroxycyclopentyl]-3-N-benzoylthymine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29N2O8P
InChI InChI=1S/C22H29N2O8P/c1-4-30-33(28,31-5-2)14-29-19-12-17(11-18(19)25)32-22-23-13-15(3)20(26)24(22)21(27)16-9-7-6-8-10-16/h6-10,13,17-19,25H,4-5,11-12,14H2,1-3H3/t17-,18-,19-/m1/s1
InChIKey VHRJAMVRENWIFD-GUDVDZBRSA-N
Molecular Weight 480.454 g/mol
SMILES O[C@@]1(C[C@@](OC=2N(C(C(=CN2)C)=O)C(=O)c2ccccc2)(C[C@]1(OCP(=O)(OCC)OCC)[H])[H])[H]
SPLASH splash10-0a4i-0900000000-08fb31f82aa59c25bc4d
Source of Spectrum PS-0-2743-23
Synonyms Diethyl ({(1R,2R,4R)-4-[(1-benzoyl-5-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)oxy]-2-hydroxycyclopentyl}oxy)methylphosphonate
Wiley ID 786859