Chem
J-GLOBAL ID：201207061175336642   Nikkaji number：J3.014.657C

3′-O-[2-Cyanoethoxy(diisopropylamino)phosphino]-5-[13-(1,4,8:3,5,12:6,3,9-triethanylylidenecyclodecane-1-yl)-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-(1,4,8:3,5,12:6,3,9-トリエタニリリデンシクロデカン-1-イル)-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： C64H79N4O12P
Molecular formula furigana： C64-H79-N4-O12-P
Molecular weight： 1127.326
InChI： InChI=1S/C64H79N4O12P/c1-40(2)68(41(3)4)81(78-25-11-23-65)80-53-33-55(79-54(53)38-77-64(43-13-8-7-9-14-43,44-15-19-46(71-5)20-16-44)45-17-21-47(72-6)22-18-45)67-37-42(60(69)66-61(67)70)12-10-24-73-26-27-74-28-29-75-30-31-76-62-34-50-48-32-49-56-52-36-63(39-62,58(50)56)59(57(49)52)51(48)35-62/h7-9,13-22,37,40-41,48-59H,11,24-36,38-39H2,1-6H3,(H,66,69,70)/t48?,49?,50?,51?,52?,53-,54+,55+,56?,57?,58?,59?,62?,63?,81?/m0/s1
InChI key： RHRWDLJXRLUWTM-GFWYDELESA-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#CCOCCOCCOCCOC23CC4C5C6C7CC5(C2)C2C7C6CC4C2C3)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-(1,4,8:3,5,12:6,3,9-トリエタニリリデンシクロデカン-1-イル)-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-[5-(3-{2-[2-(2-{ヘプタシクロ[7.6.1.01,12.02,7.03,14.04,13.06,11]ヘキサデカン-9-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)-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}[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-[5-(3-{2-[2-(2-{heptacyclo[7.6.1.01,12.02,7.03,14.04,13.06,11]hexadecan-9-yloxy}ethoxy)ethoxy]ethoxy}prop-1-yn-1-yl)-2,4-dioxo-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-(1,4,8:3,5,12:6,3,9-triethanylylidenecyclodecane-1-yl)-4,7,10,13-tetraoxa-1-tridecyne-1-yl]-5′-O-(4,4′-dimethoxytrityl)-2′-deoxyuridine
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