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9-{(1'.beta.,2'.alpha.,3'.alpha.,4'.beta.)-4'-[Ethoxy(hydroxy)phosphorylmethoxy]-2',3'-isopropylidenedioxycyclopentyl]-6-methoxypurine
SpectraBase Compound ID BvQ3hd8dr7p
InChI InChI=1S/C17H25N4O7P/c1-5-26-29(22,23)9-25-11-6-10(13-14(11)28-17(2,3)27-13)21-8-20-12-15(21)18-7-19-16(12)24-4/h7-8,10-11,13-14H,5-6,9H2,1-4H3,(H,22,23)/t10-,11+,13+,14-/m1/s1
InChIKey UWEPMCKXTBQGGZ-UVLXDEKHSA-N
Mol Weight 428.38 g/mol
Molecular Formula C17H25N4O7P
Exact Mass 428.146086 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1H4dMJ45tIF
Name 9-{(1'.beta.,2'.alpha.,3'.alpha.,4'.beta.)-4'-[Ethoxy(hydroxy)phosphorylmethoxy]-2',3'-isopropylidenedioxycyclopentyl]-6-methoxypurine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25N4O7P
InChI InChI=1S/C17H25N4O7P/c1-5-26-29(22,23)9-25-11-6-10(13-14(11)28-17(2,3)27-13)21-8-20-12-15(21)18-7-19-16(12)24-4/h7-8,10-11,13-14H,5-6,9H2,1-4H3,(H,22,23)/t10-,11+,13+,14-/m1/s1
InChIKey UWEPMCKXTBQGGZ-UVLXDEKHSA-N
Molecular Weight 428.382 g/mol
SMILES OP(CO[C@]1(C[C@@]([n]2c3c(c(OC)ncn3)nc2)([C@]2([C@@]1(OC(O2)(C)C)[H])[H])[H])[H])(=O)OCC
SPLASH splash10-0a4i-0930000000-01297702d20840b691d1
Source of Spectrum KC-0-3606-14
Synonyms 9-{(1'beta,2'alpha,3'alpha,4'beta)-4'-[Ethoxy(hydroxy)phosphorylmethoxy]-2',3'-isopropylidenedioxycyclopentyl]-6-methoxypurine [(3aR,4S,6R,6aS)-6-(6-methoxy-9-purinyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxymethyl-ethoxyphosphinic acid [(3aR,4S,6R,6aS)-6-(6-methoxypurin-9-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxymethyl-ethoxyphosphinic acid
Wiley ID 823968