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[(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]methyl acetate

View entire compound with spectra: 1 MS (GC)

[(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]methyl acetate
SpectraBase Compound ID 5tHcyVAFMtN
InChI InChI=1S/C13H15N5O7S/c1-5(19)22-3-6-8-9(25-26(20)24-8)12(23-6)18-4-15-7-10(18)16-13(14)17-11(7)21-2/h4,6,8-9,12H,3H2,1-2H3,(H2,14,16,17)/t6-,8-,9-,12-,26?/m1/s1
InChIKey LRLANDFAZMBRCJ-SQNOJCIASA-N
Mol Weight 385.35 g/mol
Molecular Formula C13H15N5O7S
Exact Mass 385.069219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8g8NBFqay1n
Name [(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]methyl acetate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N5O7S
InChI InChI=1S/C13H15N5O7S/c1-5(19)22-3-6-8-9(25-26(20)24-8)12(23-6)18-4-15-7-10(18)16-13(14)17-11(7)21-2/h4,6,8-9,12H,3H2,1-2H3,(H2,14,16,17)/t6-,8-,9-,12-,26?/m1/s1
InChIKey LRLANDFAZMBRCJ-SQNOJCIASA-N
Molecular Weight 385.351 g/mol
SMILES Nc1nc(c2c([n]([C@]3([C@]4([C@](OS(O4)=O)([C@](O3)(COC(=O)C)[H])[H])[H])[H])cn2)n1)OC
SPLASH splash10-014r-0809000000-087d193588cbc3496f6b
Source of Spectrum J-63-7379-4
Synonyms [(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]methyl ethanoate acetic acid [(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]methyl ester [(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]methyl acetate
Wiley ID 1362072