Chem
J-GLOBAL ID:200907055719785858
Nikkaji number:J2.078.747C
3,3′′-Ethylenebis[3′-O-(phenoxyacetyl)-5′-O-(4,4′-dimethoxytrityl)thymidine]
3,3′′-エチレンビス[3′-O-(フェノキシアセチル)-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:
C80 H78 N4 O18
Molecular formula furigana:
C80-H78-N4-O18
Molecular weight:
1383.514
InChI:
InChI=1S/C80H78N4O18/c1-53-47-83(71-45-67(101-73(85)51-95-65-23-15-9-16-24-65)69(99-71)49-97-79(55-19-11-7-12-20-55,57-27-35-61(91-3)36-28-57)58-29-37-62(92-4)38-30-58)77(89)81(75(53)87)43-44-82-76(88)54(2)48-84(78(82)90)72-46-68(102-74(86)52-96-66-25-17-10-18-26-66)70(100-72)50-98-80(56-21-13-8-14-22-56,59-31-39-63(93-5)40-32-59)60-33-41-64(94-6)42-34-60/h7-42,47-48,67-72H,43-46,49-52H2,1-6H3/t67-,68-,69+,70+,71+,72+/m0/s1
InChI key:
LROZKQBPXQHNIJ-MXTYEIISSA-N
SMILES:
COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OC(=O)COc1ccccc1)n1cc(C)c(=O)n(CCn2c(=O)c(C)cn([C@H]3C[C@H](OC(=O)COc4ccccc4)[C@@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)O3)c2=O)c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name (3):
3,3′′-エチレンビス[3′-O-(フェノキシアセチル)-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-[3-(2-{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-[(2-フェノキシアセチル)オキシ]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}エチル)-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 2-フェノキシアセタート
(2R,3S,5R)-2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-[3-(2-{3-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-[(2-phenoxyacetyl)oxy]oxolan-2-yl]-5-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl]oxolan-3-yl 2-phenoxyacetate
Other name (1):
3,3′′-Ethylenebis[3′-O-(phenoxyacetyl)-5′-O-(4,4′-dimethoxytrityl)thymidine]
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