Chem
J-GLOBAL ID:200907040214619921
Nikkaji number:J2.346.663E
4′-(2-Nitrobenzyloxy)thymidine
4′-(2-ニトロベンジルオキシ)チミジン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C17 H19 N2 [N+]O7 [O-]
Molecular formula furigana:
C17-H19-N3-O8
Molecular weight:
393.352
InChI:
InChI=1S/C17H19N3O8/c1-10-7-19(16(24)18-15(10)23)14-6-13(22)17(9-21,28-14)27-8-11-4-2-3-5-12(11)20(25)26/h2-5,7,13-14,21-22H,6,8-9H2,1H3,(H,18,23,24)/t13-,14+,17+/m0/s1
InChI key:
ZVZULWBEYFABJL-JJRVBVJISA-N
SMILES:
Cc1cn([C@H]2C[C@H](O)[C@](CO)(OCc3ccccc3[N+](=O)[O-])O2)c(=O)[nH]c1=O
Systematic name (3):
4′-(2-ニトロベンジルオキシ)チミジン
1-[(2R,4S,5R)-4-ヒドロキシ-5-(ヒドロキシメチル)-5-[(2-ニトロフェニル)メトキシ]オキソラン-2-イル]-5-メチル-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-[(2-nitrophenyl)methoxy]oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1):
4′-(2-Nitrobenzyloxy)thymidine
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