Chem
J-GLOBAL ID:200907021494232720
Nikkaji number:J1.665.845F
1-Methyl-2′-O,3′-O-isopropylideneinosine
1-メチル-2′-O,3′-O-イソプロピリデンイノシン
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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 H18 N4 O5
Molecular formula furigana:
C14-H18-N4-O5
Molecular weight:
322.321
InChI:
InChI=1S/C14H18N4O5/c1-14(2)22-9-7(4-19)21-13(10(9)23-14)18-6-15-8-11(18)16-5-17(3)12(8)20/h5-7,9-10,13,19H,4H2,1-3H3/t7-,9-,10-,13-/m1/s1
InChI key:
HTHOFZPNDWSNJX-QYVSTXNMSA-N
SMILES:
Cn1cnc2n(cnc2c1=O)[C@@H]1O[C@H](CO)[C@H]2OC(C)(C)O[C@@H]12
Systematic name (3):
1-メチル-2′-O,3′-O-イソプロピリデンイノシン
9-[(3aR,4R,6R,6aR)-6-(ヒドロキシメチル)-2,2-ジメチル-テトラヒドロ-2H-フロ[3,4-d][1,3]ジオキソール-4-イル]-1-メチル-6,9-ジヒドロ-1H-プリン-6-オン
9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-1-methyl-6,9-dihydro-1H-purin-6-one
Other name (1):
1-Methyl-2′-O,3′-O-isopropylideneinosine
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