Chem
J-GLOBAL ID：200907090025307568   Nikkaji number：J721.078G

4,4-Dimethyl-2-[5′-O-(4,4′-dimethoxytrityl)thymidin-3′-O-yl]-1,3,2-oxathiaphospholane 2-sulfide

4,4-ジメチル-2-[5′-O-(4,4′-ジメトキシトリチル)チミジン-3′-O-イル]-1,3,2-オキサチアホスホラン2-スルフィド
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： C35H39N2O8[P+]S[S-]
Molecular formula furigana： C35-H39-N2-O8-P-S2
Molecular weight： 710.800
InChI： InChI=1S/C35H39N2O8PS2/c1-23-20-37(33(39)36-32(23)38)31-19-29(45-46(47)43-22-34(2,3)48-46)30(44-31)21-42-35(24-9-7-6-8-10-24,25-11-15-27(40-4)16-12-25)26-13-17-28(41-5)18-14-26/h6-18,20,29-31H,19,21-22H2,1-5H3,(H,36,38,39)/t29-,30+,31+,46?/m0/s1
InChI key： XMMMZCONBPHSFP-HXFWEVHJSA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1O[P+]1([S-])OCC(C)(C)S1)n1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3)：
  • 4,4-ジメチル-2-[5′-O-(4,4′-ジメトキシトリチル)チミジン-3′-O-イル]-1,3,2-オキサチアホスホラン2-スルフィド
  • (2-{[(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}-4,4-ジメチル-1,3,2-オキサチアホスホラン-2-イウム-2-イル)スルファニド
  • (2-{[(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}-4,4-dimethyl-1,3,2-oxathiaphospholan-2-ium-2-yl)sulfanide
Other name (1)：
  • 4,4-Dimethyl-2-[5′-O-(4,4′-dimethoxytrityl)thymidin-3′-O-yl]-1,3,2-oxathiaphospholane 2-sulfide
Thsaurus map：
Thesaurus Map

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