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[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-oxidanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methanol
SpectraBase Compound ID 3vgKa12vknI
InChI InChI=1S/C10H11N5O5S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)18-10)19-21(17)20-7/h2-4,6-7,10,16H,1H2,(H2,11,12,13)/t4-,6-,7-,10-,21?/m1/s1
InChIKey LFNATCLESIMDGG-JOILOJCLSA-N
Mol Weight 313.29 g/mol
Molecular Formula C10H11N5O5S
Exact Mass 313.04809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7OPdqhPIFAW
Name [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-oxidanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methanol
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Formula C10H11N5O5S
InChI InChI=1S/C10H11N5O5S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)18-10)19-21(17)20-7/h2-4,6-7,10,16H,1H2,(H2,11,12,13)/t4-,6-,7-,10-,21?/m1/s1
InChIKey LFNATCLESIMDGG-JOILOJCLSA-N
Molecular Weight 313.288 g/mol
SMILES OC[C@@]1([C@@]2([C@]([C@]([n]3c4c(c(ncn4)N)nc3)(O1)[H])(OS(O2)=O)[H])[H])[H]
SPLASH splash10-03dr-0902000000-20698877ed2a017c0c67
Source of Spectrum J-63-7380-7
Synonyms [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methanol [(3aR,4R,6R,6aR)-4-adenin-9-yl-2-keto-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methanol
Wiley ID 1314007