Chem
J-GLOBAL ID:200907049714637036   Nikkaji number:J1.709.077A

(4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine-7-yl)5-O-methyl-β-D-ribofuranoside

(4-クロロ-5-ヨード-7H-ピロロ[2,3-d]ピリミジン-7-イル)5-O-メチル-β-D-リボフラノシド
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: C12H13ClIN3O5
Molecular formula furigana: C12-H13-CL-I-N3-O5
Molecular weight: 441.610
InChI: InChI=1S/C12H13ClIN3O5/c1-20-3-6-8(18)9(19)12(21-6)22-17-2-5(14)7-10(13)15-4-16-11(7)17/h2,4,6,8-9,12,18-19H,3H2,1H3/t6-,8-,9-,12+/m1/s1
InChI key: DAZOSQAGGOTFSV-PPSWKLDYSA-N
SMILES: COC[C@H]1O[C@@H](On2cc(I)c3c(Cl)ncnc23)[C@H](O)[C@@H]1O
Systematic name  (3):
  • (4-クロロ-5-ヨード-7H-ピロロ[2,3-d]ピリミジン-7-イル)5-O-メチル-β-D-リボフラノシド
  • (2S,3R,4S,5R)-2-({4-クロロ-5-ヨード-7H-ピロロ[2,3-d]ピリミジン-7-イル}オキシ)-5-(メトキシメチル)オキソラン-3,4-ジオール
  • (2S,3R,4S,5R)-2-({4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl}oxy)-5-(methoxymethyl)oxolane-3,4-diol
Other name (1):
  • (4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine-7-yl)5-O-methyl-β-D-ribofuranoside
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