Chem
J-GLOBAL ID:200907066916337885
Nikkaji number:J2.078.752J
3,3′′-Tetramethylenebis[5′-O-(4,4′-dimethoxytrityl)thymidine]
3,3′′-テトラメチレンビス[5′-O-(4,4′-ジメトキシトリチル)チミジン]
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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:
C66 H70 N4 O14
Molecular formula furigana:
C66-H70-N4-O14
Molecular weight:
1143.300
InChI:
InChI=1S/C66H70N4O14/c1-43-39-69(59-37-55(71)57(83-59)41-81-65(45-15-9-7-10-16-45,47-19-27-51(77-3)28-20-47)48-21-29-52(78-4)30-22-48)63(75)67(61(43)73)35-13-14-36-68-62(74)44(2)40-70(64(68)76)60-38-56(72)58(84-60)42-82-66(46-17-11-8-12-18-46,49-23-31-53(79-5)32-24-49)50-25-33-54(80-6)34-26-50/h7-12,15-34,39-40,55-60,71-72H,13-14,35-38,41-42H2,1-6H3/t55-,56-,57+,58+,59+,60+/m0/s1
InChI key:
BDCKSQWHMRTJSA-OYIAHABNSA-N
SMILES:
COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)n(CCCCn2c(=O)c(C)cn([C@H]3C[C@H](O)[C@@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)O3)c2=O)c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name (3):
3,3′′-テトラメチレンビス[5′-O-(4,4′-ジメトキシトリチル)チミジン]
1-[(2R,4S,5R)-5-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-4-ヒドロキシオキソラン-2-イル]-3-(4-{3-[(2R,4S,5R)-5-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-4-ヒドロキシオキソラン-2-イル]-5-メチル-2,6-ジオキソ-1,2,3,6-テトラヒドロピリミジン-1-イル}ブチル)-5-メチル-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
1-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-hydroxyoxolan-2-yl]-3-(4-{3-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-hydroxyoxolan-2-yl]-5-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}butyl)-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1):
3,3′′-Tetramethylenebis[5′-O-(4,4′-dimethoxytrityl)thymidine]
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