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4H-Cyclopenta-1,3-dioxole-4-ethanol, 6-[2-amino-6-(2-methoxyethoxy)-9H-purin-9-yl]tetrahydro-2,2-dimethyl-, [3aR-(3a.alpha.,4.alpha.,6.alpha.,6a.alpha.)]-
SpectraBase Compound ID IZNkmFq15sz
InChI InChI=1S/C18H27N5O5/c1-18(2)27-13-10(4-5-24)8-11(14(13)28-18)23-9-20-12-15(23)21-17(19)22-16(12)26-7-6-25-3/h9-11,13-14,24H,4-8H2,1-3H3,(H2,19,21,22)/t10-,11+,13+,14-/m0/s1
InChIKey WDTLOBFAAGMTGN-UNJBNNCHSA-N
Mol Weight 393.44 g/mol
Molecular Formula C18H27N5O5
Exact Mass 393.201219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7B1YwTGgi40
Name 4H-Cyclopenta-1,3-dioxole-4-ethanol, 6-[2-amino-6-(2-methoxyethoxy)-9H-purin-9-yl]tetrahydro-2,2-dimethyl-, [3aR-(3a.alpha.,4.alpha.,6.alpha.,6a.alpha.)]-
CAS Registry Number 119833-90-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27N5O5
InChI InChI=1S/C18H27N5O5/c1-18(2)27-13-10(4-5-24)8-11(14(13)28-18)23-9-20-12-15(23)21-17(19)22-16(12)26-7-6-25-3/h9-11,13-14,24H,4-8H2,1-3H3,(H2,19,21,22)/t10-,11+,13+,14-/m0/s1
InChIKey WDTLOBFAAGMTGN-UNJBNNCHSA-N
Molecular Weight 393.444 g/mol
SMILES Nc1nc(c2c([n]([C@@]3(C[C@](CCO)([C@@]4([C@]3(OC(O4)(C)C)[H])[H])[H])[H])cn2)n1)OCCOC
SPLASH splash10-0006-0095000000-81c8c44f883743f84cdd
Source of Spectrum KC-1988-2932-28
Synonyms (3aS,4R,6S,6aR)-9-[4,5,6,6a-tetra-hyddro-6-(2-hydroxyethyl)-2,2-dimethyl-3ah-cyclopenta-1,3-di-olxol-4-yl]-6-(2-methoxyethoxy)-9H-purin-2-amine 2-{(3aR,4R,6R,6aS)-6-[2-amino-6-(2-methoxyethoxy)-9H-purin-9-yl]-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl}ethanol
Wiley ID 1366195