Chem
J-GLOBAL ID：200907084594492896   Nikkaji number：J721.076K

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

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： C33H35N2O8[P+]S[S-]
Molecular formula furigana： C33-H35-N2-O8-P-S2
Molecular weight： 682.740
InChI： InChI=1S/C33H35N2O8PS2/c1-22-20-35(32(37)34-31(22)36)30-19-28(43-44(45)41-17-18-46-44)29(42-30)21-40-33(23-7-5-4-6-8-23,24-9-13-26(38-2)14-10-24)25-11-15-27(39-3)16-12-25/h4-16,20,28-30H,17-19,21H2,1-3H3,(H,34,36,37)/t28-,29+,30+,44?/m0/s1
InChI key： WRFHHABBLFBECG-FHAUPYODSA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1O[P+]1([S-])OCCS1)n1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (4)：
  • 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
  • 3′-O-[(1,3,2-オキサチアホスホラン2-スルフィド)-2-イル]-5′-O-(4,4′-ジメトキシトリチル)チミジン
  • (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}-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}-1,3,2-oxathiaphospholan-2-ium-2-yl)sulfanide
Other name (2)：
  • 2-[5′-O-(4,4′-Dimethoxytrityl)thymidin-3′-O-yl]-1,3,2-oxathiaphospholane 2-sulfide
  • 3′-O-[(1,3,2-Oxathiaphospholane 2-sulfide)-2-yl]-5′-O-(4,4′-dimethoxytrityl)thymidine
Thsaurus map：
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