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6-Ethoxy-9-{(1'.beta.,3'a.alpha.,4'.beta.,)-4'-[ethoxy(hydroxy)phosphorylmethoxy]-3'-hydroxycyclopentyl}purine 3',4'-cyclo ester isomer
SpectraBase Compound ID DxGhxwk3Tq9
InChI InChI=1S/C15H21N4O5P/c1-3-21-15-13-14(16-7-17-15)19(8-18-13)10-5-11-12(6-10)24-25(20,9-22-11)23-4-2/h7-8,10-12H,3-6,9H2,1-2H3/t10-,11+,12+,25?/m1/s1
InChIKey RDKRBHCOLJFALR-YMEJENNKSA-N
Mol Weight 368.33 g/mol
Molecular Formula C15H21N4O5P
Exact Mass 368.124957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0eq4rHRBWp
Name 6-Ethoxy-9-{(1'.beta.,3'a.alpha.,4'.beta.,)-4'-[ethoxy(hydroxy)phosphorylmethoxy]-3'-hydroxycyclopentyl}purine 3',4'-cyclo ester isomer
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Formula C15H21N4O5P
InChI InChI=1S/C15H21N4O5P/c1-3-21-15-13-14(16-7-17-15)19(8-18-13)10-5-11-12(6-10)24-25(20,9-22-11)23-4-2/h7-8,10-12H,3-6,9H2,1-2H3/t10-,11+,12+,25?/m1/s1
InChIKey RDKRBHCOLJFALR-YMEJENNKSA-N
Molecular Weight 368.330 g/mol
SMILES c12[n](cnc2c(OCC)ncn1)[C@]1(C[C@@]2(OP(=O)(OCC)CO[C@]2(C1)[H])[H])[H]
SPLASH splash10-014i-0930000000-b4369f45375b27e1c47f
Source of Spectrum KC-0-3603-3
Synonyms 6-Ethoxy-9-{(1'.beta.,3'a.alpha.,4'.beta.)-4'-[ethoxy(hydroxy)phosphorylmethoxy]-3'-hydroxycyclopentyl}purine 3',4'-cyclo ester 6-Ethoxy-9-{(1'beta,3'aalpha,4'beta)-4'-[ethoxy(hydroxy)phosphorylmethoxy]-3'-hydroxycyclopentyl}purine 3',4'-cyclo ester isomer 6-Ethoxy-9-{(1'beta,3'aalpha,4'beta)-4'-[ethoxy(hydroxy)phosphorylmethoxy]-3'-hydroxycyclopentyl}purine 3',4'-cyclo ester
Wiley ID 824018