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2-Amino-6-methoxy-9-[2,3-O-sulfinyl-.beta.-D-ribofuranosyl]purine
SpectraBase Compound ID BuHms7hbadB
InChI InChI=1S/C11H13N5O6S/c1-19-9-5-8(14-11(12)15-9)16(3-13-5)10-7-6(4(2-17)20-10)21-23(18)22-7/h3-4,6-7,10,17H,2H2,1H3,(H2,12,14,15)/t4-,6-,7-,10-,23?/m1/s1
InChIKey GWQMVDBDNYCFQG-BZXLRHNSSA-N
Mol Weight 343.31 g/mol
Molecular Formula C11H13N5O6S
Exact Mass 343.058654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxkwoRVxw2z
Name 2-Amino-6-methoxy-9-[2,3-O-sulfinyl-.beta.-D-ribofuranosyl]purine
Comments Less than 3 mono-isotopic peaks
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Formula C11H13N5O6S
InChI InChI=1S/C11H13N5O6S/c1-19-9-5-8(14-11(12)15-9)16(3-13-5)10-7-6(4(2-17)20-10)21-23(18)22-7/h3-4,6-7,10,17H,2H2,1H3,(H2,12,14,15)/t4-,6-,7-,10-,23?/m1/s1
InChIKey GWQMVDBDNYCFQG-BZXLRHNSSA-N
Molecular Weight 343.314 g/mol
SMILES Nc1nc(c2c([n]([C@@]3(O[C@](CO)([C@@]4([C@]3(OS(O4)=O)[H])[H])[H])[H])cn2)n1)OC
SPLASH splash10-014l-0908000000-d118d19e1f64d0c65499
Source of Spectrum J-63-7380-7
Synonyms [(3aR,4R,6R,6aR)-6-(2-amino-6-methoxy-9H-purin-9-yl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxathiol-4-yl]methanol [(3aR,4R,6R,6aR)-4-(2-amino-6-methoxy-9-purinyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methanol [(3aR,4R,6R,6aR)-4-(2-amino-6-methoxypurin-9-yl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methanol [(3aR,4R,6R,6aR)-4-(2-amino-6-methoxy-purin-9-yl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methanol [(3aR,4R,6R,6aR)-4-(2-azanyl-6-methoxy-purin-9-yl)-2-oxidanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methanol
Wiley ID 1337105