Chem
J-GLOBAL ID:200907046409935648
Nikkaji number:J765.281J
N-[2-(4-Hydroxyphenyl)-1-methylethyl]adenosine
N-[2-(4-ヒドロキシフェニル)-1-メチルエチル]アデノシン
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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:
C19 H23 N5 O5
Molecular formula furigana:
C19-H23-N5-O5
Molecular weight:
401.423
InChI:
InChI=1S/C19H23N5O5/c1-10(6-11-2-4-12(26)5-3-11)23-17-14-18(21-8-20-17)24(9-22-14)19-16(28)15(27)13(7-25)29-19/h2-5,8-10,13,15-16,19,25-28H,6-7H2,1H3,(H,20,21,23)/t10?,13-,15-,16-,19-/m1/s1
InChI key:
BRAJRQOLQJOFIP-JTXMXDKBSA-N
SMILES:
CC(Cc1ccc(O)cc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Systematic name (3):
N-[2-(4-ヒドロキシフェニル)-1-メチルエチル]アデノシン
(2R,3S,4R,5R)-2-(ヒドロキシメチル)-5-(6-{[1-(4-ヒドロキシフェニル)プロパン-2-イル]アミノ}-9H-プリン-9-イル)オキソラン-3,4-ジオール
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[1-(4-hydroxyphenyl)propan-2-yl]amino}-9H-purin-9-yl)oxolane-3,4-diol
Other name (1):
N-[2-(4-Hydroxyphenyl)-1-methylethyl]adenosine
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