Chem
J-GLOBAL ID:201207060280099749
Nikkaji number:J3.014.654I
3′-O-[2-Cyanoethoxy(diisopropylamino)phosphino]-5-[13-(1,4,8:6,3,9-diethanylylidenecyclodecane-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-(1,4,8:6,3,9-ジ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
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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:
C62 H79 N4 O12 P
Molecular formula furigana:
C62-H79-N4-O12-P
Molecular weight:
1103.304
InChI:
InChI=1S/C62H79N4O12P/c1-41(2)66(42(3)4)79(76-25-11-23-63)78-56-35-58(77-57(56)40-75-62(45-13-8-7-9-14-45,46-15-19-48(69-5)20-16-46)47-17-21-49(70-6)22-18-47)65-39-44(59(67)64-60(65)68)12-10-24-71-26-27-72-28-29-73-30-31-74-61-36-53-50-32-43-33-51(53)55(38-61)52(34-43)54(50)37-61/h7-9,13-22,39,41-43,50-58H,11,24-38,40H2,1-6H3,(H,64,67,68)/t43?,50?,51?,52?,53?,54?,55?,56-,57+,58+,61?,79?/m0/s1
InChI key:
RBQNVJWJKBIIRW-HBPONRQKSA-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#CCOCCOCCOCCOC23CC4C5CC6CC4C(C2)C(C6)C5C3)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-(1,4,8:6,3,9-ジ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-[2,4-ジオキソ-5-(3-{2-[2-(2-{ペンタシクロ[7.3.1.14,12 .02,7 .06,11 ]テトラデカン-4-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-{pentacyclo[7.3.1.14,12 .02,7 .06,11 ]tetradecan-4-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-(1,4,8:6,3,9-diethanylylidenecyclodecane-1-yl)-4,7,10,13-tetraoxa-1-tridecyne-1-yl]-5′-O-(4,4′-dimethoxytrityl)-2′-deoxyuridine
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