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(+/-)-(1-ALPHA,2-BETA,3-BETA,4-ALPHA)-4-[(2,5-DIAMINO-6-CHLOROPYRIMIDIN-4-YL)-AMINO]-2,3-O-ISOPROPYLIDENE-1,2,3-CYClOPENTANETRIOL

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(+/-)-(1-ALPHA,2-BETA,3-BETA,4-ALPHA)-4-[(2,5-DIAMINO-6-CHLOROPYRIMIDIN-4-YL)-AMINO]-2,3-O-ISOPROPYLIDENE-1,2,3-CYClOPENTANETRIOL
SpectraBase Compound ID JoRfyo2mD83
InChI InChI=1S/C12H18ClN5O3/c1-12(2)20-7-4(3-5(19)8(7)21-12)16-10-6(14)9(13)17-11(15)18-10/h4-5,7-8,19H,3,14H2,1-2H3,(H3,15,16,17,18)/t4-,5+,7+,8-/m0/s1
InChIKey VVXSKVWLFOGCOO-LAHCRNKXSA-N
Mol Weight 315.76 g/mol
Molecular Formula C12H18ClN5O3
Exact Mass 315.109817 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXyKPvUKif7
Name (+/-)-(1-ALPHA,2-BETA,3-BETA,4-ALPHA)-4-[(2,5-DIAMINO-6-CHLOROPYRIMIDIN-4-YL)-AMINO]-2,3-O-ISOPROPYLIDENE-1,2,3-CYClOPENTANETRIOL
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18ClN5O3
InChI InChI=1S/C12H18ClN5O3/c1-12(2)20-7-4(3-5(19)8(7)21-12)16-10-6(14)9(13)17-11(15)18-10/h4-5,7-8,19H,3,14H2,1-2H3,(H3,15,16,17,18)/t4-,5+,7+,8-/m0/s1
InChIKey VVXSKVWLFOGCOO-LAHCRNKXSA-N
Literature Reference Author S.D.PATIL,S.W.SCHNELLER
Literature Reference Citation J.HETCYCL.CHEM.,28,823(1991)
Literature Reference DOI 10.1002/jhet.5570280351
Molecular Weight 315.760 g/mol
Solvent DMSO-D6
Source File Reference UWCS19420