Chem
J-GLOBAL ID:200907050545184459   Nikkaji number:J548.026D

N-(1-Methyl-2-methoxy-2-oxoethyl)amidophosphoric acid 4-fluorophenyl=3′-azido-3′-deoxy-5′-thymidyl ester

N-(1-メチル-2-メトキシ-2-オキソエチル)アミドりん酸4-フルオロフェニル=3′-アジド-3′-デオキシ-5′-チミジル
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: C20H24FN4[N-][N+]O8P
Molecular formula furigana: C20-H24-F-N6-O8-P
Molecular weight: 526.418
InChI: InChI=1S/C20H24FN6O8P/c1-11-9-27(20(30)23-18(11)28)17-8-15(24-26-22)16(34-17)10-33-36(31,25-12(2)19(29)32-3)35-14-6-4-13(21)5-7-14/h4-7,9,12,15-17H,8,10H2,1-3H3,(H,25,31)(H,23,28,30)/t12?,15-,16+,17+,36?/m0/s1
InChI key: JBFRXGUHTHUTBX-CJWHCCQASA-N
SMILES: COC(=O)C(C)NP(=O)(OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O)Oc1ccc(F)cc1
Systematic name  (3):
  • N-(1-メチル-2-メトキシ-2-オキソエチル)アミドりん酸4-フルオロフェニル=3′-アジド-3′-デオキシ-5′-チミジル
  • メチル 2-[({[(2S,3S,5R)-3-アジド-5-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)オキソラン-2-イル]メトキシ}(4-フルオロフェノキシ)ホスホリル)アミノ]プロパノアート
  • methyl 2-[({[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(4-fluorophenoxy)phosphoryl)amino]propanoate
Other name (1):
  • N-(1-Methyl-2-methoxy-2-oxoethyl)amidophosphoric acid 4-fluorophenyl=3′-azido-3′-deoxy-5′-thymidyl ester
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