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Adenosine, 2-(dimethylamino)-, 2',3',5'-triacetate
SpectraBase Compound ID Gg6kbxeG2eT
InChI InChI=1S/C18H24N6O7/c1-8(25)28-6-11-13(29-9(2)26)14(30-10(3)27)17(31-11)24-7-20-12-15(23(4)5)21-18(19)22-16(12)24/h7,11,13-14,17H,6H2,1-5H3,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1
InChIKey GKPKKLWKKUIADT-LSCFUAHRSA-N
Mol Weight 436.43 g/mol
Molecular Formula C18H24N6O7
Exact Mass 436.170647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4klc6ZAIfcS
Name Adenosine, 2-(dimethylamino)-, 2',3',5'-triacetate
CAS Registry Number 79999-40-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24N6O7
InChI InChI=1S/C18H24N6O7/c1-8(25)28-6-11-13(29-9(2)26)14(30-10(3)27)17(31-11)24-7-20-12-15(23(4)5)21-18(19)22-16(12)24/h7,11,13-14,17H,6H2,1-5H3,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1
InChIKey GKPKKLWKKUIADT-LSCFUAHRSA-N
Molecular Weight 436.425 g/mol
SMILES Nc1nc(c2c([n]([C@]3([C@@]([C@](OC(=O)C)([C@](O3)(COC(=O)C)[H])[H])(OC(=O)C)[H])[H])cn2)n1)N(C)C
SPLASH splash10-004r-0900600000-2a18243b148f1befa984
Source of Spectrum I-59-2605-0
Synonyms 9-(2,3,5-tri-O-acetyl-.beta.-D-ribofuranosyl)-2-amino-6-N,N-dimethylaminopurine [(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-[2-amino-6-(dimethylamino)-9H-purin-9-yl]oxolan-2-yl]methyl acetate Acetic acid [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[2-amino-6-(dimethylamino)-9-purinyl]-2-oxolanyl]methyl ester [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[2-amino-6-(dimethylamino)purin-9-yl]oxolan-2-yl]methyl acetate [(2R,3R,4R,5R)-3,4-diacetoxy-5-[2-amino-6-(dimethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl acetate [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[2-azanyl-6-(dimethylamino)purin-9-yl]oxolan-2-yl]methyl ethanoate
Wiley ID 1383377