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5'-Adenylic acid, N,N-dimethyl-2',3'-di-O-methyl-, dimethyl ester
SpectraBase Compound ID GsvAD0XTZhw
InChI InChI=1S/C16H26N5O7P/c1-20(2)14-11-15(18-8-17-14)21(9-19-11)16-13(24-4)12(23-3)10(28-16)7-27-29(22,25-5)26-6/h8-10,12-13,16H,7H2,1-6H3/t10-,12-,13-,16-/m1/s1
InChIKey ZCOQKBFTICWIHE-XNIJJKJLSA-N
Mol Weight 431.39 g/mol
Molecular Formula C16H26N5O7P
Exact Mass 431.156985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35Mm7CTaGUT
Name 5'-Adenylic acid, N,N-dimethyl-2',3'-di-O-methyl-, dimethyl ester
CAS Registry Number 67690-03-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26N5O7P
InChI InChI=1S/C16H26N5O7P/c1-20(2)14-11-15(18-8-17-14)21(9-19-11)16-13(24-4)12(23-3)10(28-16)7-27-29(22,25-5)26-6/h8-10,12-13,16H,7H2,1-6H3/t10-,12-,13-,16-/m1/s1
InChIKey ZCOQKBFTICWIHE-XNIJJKJLSA-N
Molecular Weight 431.386 g/mol
SMILES [C@@]1([n]2c3c(c(N(C)C)ncn3)nc2)([C@@]([C@](OC)([C@](O1)(COP(=O)(OC)OC)[H])[H])(OC)[H])[H]
SPLASH splash10-0002-5900100000-2684c70cf60b70d95da0
Source of Spectrum KO-5-155-2
Synonyms Hexamethyl-5'-adenylic acid [(2R,3R,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-3,4-dimethoxyoxolan-2-yl]methyl dimethyl phosphate
Wiley ID 1381902