9-[5-O-Acetyl-2,3-O-sulfonyl-.beta.-D-ribofuranosyl]2-amino-6-methoxypurine

SpectraBase Compound ID	74EjypDJ6W3
InChI	InChI=1S/C13H15N5O8S/c1-5(19)23-3-6-8-9(26-27(20,21)25-8)12(24-6)18-4-15-7-10(18)16-13(14)17-11(7)22-2/h4,6,8-9,12H,3H2,1-2H3,(H2,14,16,17)/t6-,8-,9-,12-/m1/s1
InChIKey	XVYXKQYOONXPIE-WOUKDFQISA-N Google Search
Mol Weight	401.35 g/mol
Molecular Formula	C13H15N5O8S
Exact Mass	401.064134 g/mol

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SpectraBase Spectrum ID	7GNsPKd0Z33
Name	9-[5-O-Acetyl-2,3-O-sulfonyl-.beta.-D-ribofuranosyl]2-amino-6-methoxypurine
Alternate Name(s)	[(3aR,4R,6R,6aR)-6-(2-amino-6-methoxy-9H-purin-9-yl)-2,2-dioxidotetrahydrofuro[3,4-d][1,3,2]dioxathiol-4-yl]methyl acetate Acetic acid [(3aR,4R,6R,6aR)-4-(2-amino-6-methoxy-9-purinyl)-2,2-dioxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methyl ester [(3aR,4R,6R,6aR)-4-(2-amino-6-methoxypurin-9-yl)-2,2-dioxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methyl acetate [(3aR,4R,6R,6aR)-4-(2-amino-6-methoxy-purin-9-yl)-2,2-dioxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methyl acetate [(3aR,4R,6R,6aR)-4-(2-azanyl-6-methoxy-purin-9-yl)-2,2-bis(oxidanylidene)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methyl ethanoate
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Formula	C13H15N5O8S
InChI	InChI=1S/C13H15N5O8S/c1-5(19)23-3-6-8-9(26-27(20,21)25-8)12(24-6)18-4-15-7-10(18)16-13(14)17-11(7)22-2/h4,6,8-9,12H,3H2,1-2H3,(H2,14,16,17)/t6-,8-,9-,12-/m1/s1
InChIKey	XVYXKQYOONXPIE-WOUKDFQISA-N
Molecular Weight	401.350 g/mol
SMILES	Nc1nc(c2c([n]([C@]3([C@]4([C@](OS(O4)(=O)=O)([C@](O3)(COC(=O)C)[H])[H])[H])[H])cn2)n1)OC
SPLASH	splash10-0f89-9300500000-4dd100d59dd2f79ffe24
Source of Spectrum	J-63-7380-6
Wiley ID	1369873