Chem
J-GLOBAL ID：200907021256983513   Nikkaji number：J714.056H

1-[5-O-[(4-Ethylphenoxy)[(1-methyl-2-oxo-2-methoxyethyl)amino]phosphinyl]-2,3-dideoxy-β-D-glycero-penta-2-enofuranosyl]thymine

1-[5-O-[(4-エチルフェノキシ)[(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
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： C22H28N3O8P
Molecular formula furigana： C22-H28-N3-O8-P
Molecular weight： 493.453
InChI： InChI=1S/C22H28N3O8P/c1-5-16-6-8-17(9-7-16)33-34(29,24-15(3)21(27)30-4)31-13-18-10-11-19(32-18)25-12-14(2)20(26)23-22(25)28/h6-12,15,18-19H,5,13H2,1-4H3,(H,24,29)(H,23,26,28)/t15?,18-,19+,34?/m0/s1
InChI key： SNRKPUYOWJQMEI-WSBSZKMTSA-N
SMILES： CCc1ccc(OP(=O)(NC(C)C(=O)OC)OC[C@H]2O[C@H](C=C2)n2cc(C)c(=O)[nH]c2=O)cc1
Systematic name  (3)：
  • 1-[5-O-[(4-エチルフェノキシ)[(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
  • メチル 2-{[(4-エチルフェノキシ)({[(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})ホスホリル]アミノ}プロパノアート
  • methyl 2-{[(4-ethylphenoxy)({[(2S,5R)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy})phosphoryl]amino}propanoate
Other name (1)：
  • 1-[5-O-[(4-Ethylphenoxy)[(1-methyl-2-oxo-2-methoxyethyl)amino]phosphinyl]-2,3-dideoxy-β-D-glycero-penta-2-enofuranosyl]thymine
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