Chem
J-GLOBAL ID：200907094924954137   Nikkaji number：J714.053C

2′,3′-Didehydro-3′-deoxythymidine 5′-[[1-(methoxycarbonyl)ethyl]amidophosphoric acid 3-(trifluoromethyl)phenyl] ester

2′,3′-ジデヒドロ-3′-デオキシチミジン5′-[[1-(メトキシカルボニル)エチル]アミドりん酸3-(トリフルオロメチル)フェニル]
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： C21H23F3N3O8P
Molecular formula furigana： C21-H23-F3-N3-O8-P
Molecular weight： 533.397
InChI： InChI=1S/C21H23F3N3O8P/c1-12-10-27(20(30)25-18(12)28)17-8-7-16(34-17)11-33-36(31,26-13(2)19(29)32-3)35-15-6-4-5-14(9-15)21(22,23)24/h4-10,13,16-17H,11H2,1-3H3,(H,26,31)(H,25,28,30)/t13?,16-,17+,36?/m0/s1
InChI key： ZVZJCSUGWFZOLS-CKSVZJCJSA-N
SMILES： COC(=O)C(C)NP(=O)(OC[C@H]1O[C@H](C=C1)n1cc(C)c(=O)[nH]c1=O)Oc1cccc(c1)C(F)(F)F
Systematic name  (4)：
  • 1-[5-O-[[3-(トリフルオロメチル)フェノキシ][(1-メチル-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
  • 2′,3′-ジデヒドロ-3′-デオキシチミジン5′-[[1-(メトキシカルボニル)エチル]アミドりん酸3-(トリフルオロメチル)フェニル]
  • 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}[3-(トリフルオロメチル)フェノキシ]ホスホリル)アミノ]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}[3-(trifluoromethyl)phenoxy]phosphoryl)amino]propanoate
Other name (2)：
  • 1-[5-O-[[3-(Trifluoromethyl)phenoxy][(1-methyl-2-oxo-2-methoxyethyl)amino]phosphinyl]-2,3-dideoxy-β-D-glycero-penta-2-enofuranosyl]thymine
  • 2′,3′-Didehydro-3′-deoxythymidine 5′-[[1-(methoxycarbonyl)ethyl]amidophosphoric acid 3-(trifluoromethyl)phenyl] ester
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