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3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione
SpectraBase Compound ID 66V7zGUy90G
InChI InChI=1S/C12H13N3O6/c16-4-6-8(18)9(19)11(21-6)15-3-5-1-2-7(17)13-10(5)14-12(15)20/h1-3,6,8-9,11,16,18-19H,4H2,(H,13,14,17,20)/t6-,8-,9-,11-/m1/s1
InChIKey HTECIWSFDPIREL-PNHWDRBUSA-N
Mol Weight 295.25 g/mol
Molecular Formula C12H13N3O6
Exact Mass 295.080435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8Q8ZJv7sDH
Name 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione
CAS Registry Number 81206-83-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O6
InChI InChI=1S/C12H13N3O6/c16-4-6-8(18)9(19)11(21-6)15-3-5-1-2-7(17)13-10(5)14-12(15)20/h1-3,6,8-9,11,16,18-19H,4H2,(H,13,14,17,20)/t6-,8-,9-,11-/m1/s1
InChIKey HTECIWSFDPIREL-PNHWDRBUSA-N
Molecular Weight 295.251 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]1(O)[H])(N1C(NC=2C(=C1)C=CC(N2)=O)=O)[H])(CO)[H])[H]
SPLASH splash10-08g0-0900000000-50020572d41f772a8765
Source of Spectrum J-47-2178-0
Synonyms 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-quinone 3-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione
Wiley ID 1297975