Chem
J-GLOBAL ID：200907047594033465   Nikkaji number：J1.925.157H

3′-O-[Hydroxy(2-cyanoethoxy)phosphinyl]-5′-O-(4,4′-dimethoxytrityl)thymidine

3′-O-[ヒドロキシ(2-シアノエトキシ)ホスフィニル]-5′-O-(4,4′-ジメトキシトリチル)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： C34H36N3O10P
Molecular formula furigana： C34-H36-N3-O10-P
Molecular weight： 677.647
InChI： InChI=1S/C34H36N3O10P/c1-23-21-37(33(39)36-32(23)38)31-20-29(47-48(40,41)45-19-7-18-35)30(46-31)22-44-34(24-8-5-4-6-9-24,25-10-14-27(42-2)15-11-25)26-12-16-28(43-3)17-13-26/h4-6,8-17,21,29-31H,7,19-20,22H2,1-3H3,(H,40,41)(H,36,38,39)/t29-,30+,31+/m0/s1
InChI key： JSRYMGXJBUZIFS-OJDZSJEKSA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OP(=O)(O)OCCC#N)n1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3)：
  • 3′-O-[ヒドロキシ(2-シアノエトキシ)ホスフィニル]-5′-O-(4,4′-ジメトキシトリチル)チミジン
  • {[(2R,3S,5R)-2-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-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-3-イル]オキシ}(2-シアノエトキシ)ホスフィン酸
  • {[(2R,3S,5R)-2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl]oxy}(2-cyanoethoxy)phosphinic acid
Other name (1)：
  • 3′-O-[Hydroxy(2-cyanoethoxy)phosphinyl]-5′-O-(4,4′-dimethoxytrityl)thymidine
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