Chem
J-GLOBAL ID：200907090913208942   Nikkaji number：J2.768.780F

(1S)-1-(tert-Butyldiphenylsiloxymethyl)-4β-(thymine-1-yl)-5,5-difluoro-2-cyclopentene-1β-carboxylic acid methyl ester

(1S)-1-(tert-ブチルジフェニルシロキシメチル)-4β-(チミン-1-イル)-5,5-ジフルオロ-2-シクロペンテン-1β-カルボン酸メチル
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： C29H32F2N2O5Si
Molecular formula furigana： C29-H32-F2-N2-O5-SI
Molecular weight： 554.666
InChI： InChI=1S/C29H32F2N2O5Si/c1-20-18-33(26(36)32-24(20)34)23-16-17-28(25(35)37-5,29(23,30)31)19-38-39(27(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-18,23H,19H2,1-5H3,(H,32,34,36)/t23-,28+/m1/s1
InChI key： RSQMBRLXNWHAQH-LXFBAYGMSA-N
SMILES： COC(=O)[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=C[C@@H](n2cc(C)c(=O)[nH]c2=O)C1(F)F
Systematic name  (3)：
  • (1S)-1-(tert-ブチルジフェニルシロキシメチル)-4β-(チミン-1-イル)-5,5-ジフルオロ-2-シクロペンテン-1β-カルボン酸メチル
  • メチル (1S,4R)-1-{[(tert-ブチルジフェニルシリル)オキシ]メチル}-5,5-ジフルオロ-4-(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)シクロペンタ-2-エン-1-カルボキシラート
  • methyl (1S,4R)-1-{[(tert-butyldiphenylsilyl)oxy]methyl}-5,5-difluoro-4-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)cyclopent-2-ene-1-carboxylate
Other name (1)：
  • (1S)-1-(tert-Butyldiphenylsiloxymethyl)-4β-(thymine-1-yl)-5,5-difluoro-2-cyclopentene-1β-carboxylic acid methyl ester
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