9-[5-(1,2-dihydroxyethyl)-3,4-dihydroxy-2-oxolanyl]-1,3-dimethylpurine-2,6-dione

SpectraBase Compound ID	4z2kTOXVEj4
InChI	InChI=1S/C13H18N4O7/c1-15-10-6(11(22)16(2)13(15)23)14-4-17(10)12-8(21)7(20)9(24-12)5(19)3-18/h4-5,7-9,12,18-21H,3H2,1-2H3/t5-,7-,8+,9-,12+/m1/s1
InChIKey	JJNNVGWKMVEREL-IISLSXNTSA-N Google Search
Mol Weight	342.31 g/mol
Molecular Formula	C13H18N4O7
Exact Mass	342.117549 g/mol

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SpectraBase Spectrum ID	DibLOpBz1Td
Name	9-[5-(1,2-dihydroxyethyl)-3,4-dihydroxy-2-oxolanyl]-1,3-dimethylpurine-2,6-dione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H18N4O7
InChI	InChI=1S/C13H18N4O7/c1-15-10-6(11(22)16(2)13(15)23)14-4-17(10)12-8(21)7(20)9(24-12)5(19)3-18/h4-5,7-9,12,18-21H,3H2,1-2H3/t5-,7-,8+,9-,12+/m1/s1
InChIKey	JJNNVGWKMVEREL-IISLSXNTSA-N
Molecular Weight	342.308 g/mol
SMILES	O[C@@]1([C@](O[C@]([C@@](CO)(O)[H])([C@@]1(O)[H])[H])([n]1c2c(nc1)C(N(C(N2C)=O)C)=O)[H])[H]
SPLASH	splash10-001i-6900000000-27377bcff162aba0183f
Source of Spectrum	HE-1982-0-0
Synonyms	9-[5-(1,2-dihydroxyethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-1,3-dimethyl-purine-2,6-dione 9-[5-(1,2-dihydroxyethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-1,3-dimethyl-xanthine 9-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]-1,3-dimethylpurine-2,6-dione 9-[5-[1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-1,3-dimethyl-purine-2,6-dione d-Mannofuranosyl-theophylline
Wiley ID	1336230