Chem
J-GLOBAL ID：200907010278475056   Nikkaji number：J714.050I

5′-O-[Phenoxy[[1-(methoxycarbonyl)-2-phenylethyl]amino]phosphinyl]-3′-deoxy-2′,3′-didehydrothymidine

5′-O-[フェノキシ[[1-(メトキシカルボニル)-2-フェニルエチル]アミノ]ホスフィニル]-3′-デオキシ-2′,3′-ジデヒドロチミジン
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： C26H28N3O8P
Molecular formula furigana： C26-H28-N3-O8-P
Molecular weight： 541.497
InChI： InChI=1S/C26H28N3O8P/c1-18-16-29(26(32)27-24(18)30)23-14-13-21(36-23)17-35-38(33,37-20-11-7-4-8-12-20)28-22(25(31)34-2)15-19-9-5-3-6-10-19/h3-14,16,21-23H,15,17H2,1-2H3,(H,28,33)(H,27,30,32)/t21-,22?,23+,38?/m0/s1
InChI key： XUYFUIBPVTXNAH-YZIAROOFSA-N
SMILES： COC(=O)C(Cc1ccccc1)NP(=O)(OC[C@H]1O[C@H](C=C1)n1cc(C)c(=O)[nH]c1=O)Oc1ccccc1
Systematic name  (4)：
  • 1-[5-O-[フェノキシ[(1-ベンジル-2-オキソ-2-メトキシエチル)アミノ]ホスフィニル]-2,3-ジデオキシ-β-D-glycero-ペンタ-2-エノフラノシル]チミン
  • 5′-O-[フェノキシ[[1-(メトキシカルボニル)-2-フェニルエチル]アミノ]ホスフィニル]-3′-デオキシ-2′,3′-ジデヒドロチミジン
  • メチル 2-[({[(2S,5R)-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)-2,5-ジヒドロフラン-2-イル]メトキシ}(フェノキシ)ホスホリル)アミノ]-3-フェニルプロパノアート
  • methyl 2-[({[(2S,5R)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy}(phenoxy)phosphoryl)amino]-3-phenylpropanoate
Other name (2)：
  • 1-[5-O-[Phenoxy[(1-benzyl-2-oxo-2-methoxyethyl)amino]phosphinyl]-2,3-dideoxy-β-D-glycero-penta-2-enofuranosyl]thymine
  • 5′-O-[Phenoxy[[1-(methoxycarbonyl)-2-phenylethyl]amino]phosphinyl]-3′-deoxy-2′,3′-didehydrothymidine
Thsaurus map：
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