Chem
J-GLOBAL ID:200907031303996403
Nikkaji number:J1.221.003E
N-[(1S,2S)-2-Hydroxy[4,5-2 H2 ]cyclopentyl][1-15 N,2-13 C]adenosine
N-[(1S,2S)-2-ヒドロキシ[4,5-2 H2 ]シクロペンチル][1-15 N,2-13 C]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:
C14 [13 C]H19 [2 H]2 N4 [15 N]O5
Molecular formula furigana:
C15-H21-N5-O5
Molecular weight:
355.361
InChI:
InChI=1S/C15H21N5O5/c21-4-9-11(23)12(24)15(25-9)20-6-18-10-13(16-5-17-14(10)20)19-7-2-1-3-8(7)22/h5-9,11-12,15,21-24H,1-4H2,(H,16,17,19)/t7-,8-,9+,11+,12+,15+/m0/s1/i1D,2D,5+1,16+1/t1?,2?,7-,8-,9+,11+,12+,15+
InChI key:
GYWXTRVEUURNEW-XTTYCFSZSA-N
SMILES:
C1([2H])C[C@H](O)[C@@H](Nc2[15n][13cH]nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1[2H]
Systematic name (3):
N-[(1S,2S)-2-ヒドロキシ[4,5-2 H2 ]シクロペンチル][1-15 N,2-13 C]アデノシン
(2R,3R,4S,5R)-2-(6-{[(1S,2S)-2-ヒドロキシ(4,5-2 H2 )シクロペンチル]アミノ}(2-13 C,1-15 N)-9H-プリン-9-イル)-5-(ヒドロキシメチル)オキソラン-3,4-ジオール
(2R,3R,4S,5R)-2-(6-{[(1S,2S)-2-hydroxy(4,5-2 H2 )cyclopentyl]amino}(2-13 C,1-15 N)-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Other name (1):
N-[(1S,2S)-2-Hydroxy[4,5-2 H2 ]cyclopentyl][1-15 N,2-13 C]adenosine
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