Chem
J-GLOBAL ID:200907007647606126   Nikkaji number:J1.014.803K

1-(2-Ethynyl-β-D-arabino-pentofuranosyl)cytosine

1-(2-エチニル-β-D-arabino-ペントフラノシル)シトシン
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: C11H13N3O5
Molecular formula furigana: C11-H13-N3-O5
Molecular weight: 267.241
InChI: InChI=1S/C11H13N3O5/c1-2-11(18)8(16)6(5-15)19-9(11)14-4-3-7(12)13-10(14)17/h1,3-4,6,8-9,15-16,18H,5H2,(H2,12,13,17)/t6-,8-,9-,11+/m1/s1
InChI key: LMPQMWCSENOFHW-AAQQEJRNSA-N
SMILES: Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@]2(O)C#C)c(=O)n1
Systematic name  (3):
  • 1-(2-エチニル-β-D-arabino-ペントフラノシル)シトシン
  • 4-アミノ-1-[(2R,3S,4R,5R)-3-エチニル-3,4-ジヒドロキシ-5-(ヒドロキシメチル)オキソラン-2-イル]-1,2-ジヒドロピリミジン-2-オン
  • 4-amino-1-[(2R,3S,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
Other name (1):
  • 1-(2-Ethynyl-β-D-arabino-pentofuranosyl)cytosine
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