Chem
J-GLOBAL ID：201207094614815337   Nikkaji number：J3.014.652B

3′-O-[2-Cyanoethoxy(diisopropylamino)phosphino]-5-[13-(1-adamantyl)-4,7,10,13-tetraoxa-1-tridecyne-1-yl]-5′-O-(4,4′-dimethoxytrityl)-2′-deoxyuridine

3′-O-[2-シアノエトキシ(ジイソプロピルアミノ)ホスフィノ]-5-[13-(1-アダマンチル)-4,7,10,13-テトラオキサ-1-トリデシン-1-イル]-5′-O-(4,4′-ジメトキシトリチル)-2′-デオキシウリジン
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： C58H75N4O12P
Molecular formula furigana： C58-H75-N4-O12-P
Molecular weight： 1051.228
InChI： InChI=1S/C58H75N4O12P/c1-41(2)62(42(3)4)75(72-25-11-23-59)74-52-35-54(73-53(52)40-71-58(47-13-8-7-9-14-47,48-15-19-50(65-5)20-16-48)49-17-21-51(66-6)22-18-49)61-39-46(55(63)60-56(61)64)12-10-24-67-26-27-68-28-29-69-30-31-70-57-36-43-32-44(37-57)34-45(33-43)38-57/h7-9,13-22,39,41-45,52-54H,11,24-38,40H2,1-6H3,(H,60,63,64)/t43-,44?,45?,52-,53+,54+,57-,75?/m0/s1
InChI key： MZMPKNRJSRTPAH-IXKQISALSA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)n1cc(C#CCOCCOCCOCCO[C@@]23CC4C[C@@H](CC(C4)C2)C3)c(=O)[nH]c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3)：
  • 3′-O-[2-シアノエトキシ(ジイソプロピルアミノ)ホスフィノ]-5-[13-(1-アダマンチル)-4,7,10,13-テトラオキサ-1-トリデシン-1-イル]-5′-O-(4,4′-ジメトキシトリチル)-2′-デオキシウリジン
  • 3-[({[(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-(2,4-ジオキソ-5-{3-[2-(2-{2-[(3r)-アダマンタン-1-イルオキシ]エトキシ}エトキシ)エトキシ]プロパ-1-イン-1-イル}-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}[ビス(プロパン-2-イル)アミノ]ホスファニル)オキシ]プロパンニトリル
  • 3-[({[(2R,3S,5R)-2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-(2,4-dioxo-5-{3-[2-(2-{2-[(3r)-adamantan-1-yloxy]ethoxy}ethoxy)ethoxy]prop-1-yn-1-yl}-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl]oxy}[bis(propan-2-yl)amino]phosphanyl)oxy]propanenitrile
Other name (1)：
  • 3′-O-[2-Cyanoethoxy(diisopropylamino)phosphino]-5-[13-(1-adamantyl)-4,7,10,13-tetraoxa-1-tridecyne-1-yl]-5′-O-(4,4′-dimethoxytrityl)-2′-deoxyuridine
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