Chem
J-GLOBAL ID：200907001567343347
Nikkaji number：J1.439.029D
N-Benzoyl-2′-O-[(2-cyanoethoxy)(N,N,2′-O,3′-O-tetrabenzoyl-5′-adenosyloxy)phosphinyl]-3′-O-(1,1,3,3-tetraisopropyl-2,4-dioxa-1,3-disilabutane-1-yl)adenosine
N-ベンゾイル-2′-O-[(2-シアノエトキシ)(N,N,2′-O,3′-O-テトラベンゾイル-5′-アデノシルオキシ)ホスフィニル]-3′-O-(1,1,3,3-テトライソプロピル-2,4-ジオキサ-1,3-ジシラブタン-1-イル)アデノシン
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
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
Molecular formula： C70H76N11O17PSi2
Molecular formula furigana： C70-H76-N11-O17-P-SI2
Molecular weight： 1430.582
InChI：
InChI=1S/C70H76N11O17PSi2/c1-43(2)100(89,44(3)4)98-101(45(5)6,46(7)8)97-57-52(37-82)92-68(79-41-76-54-60(72-39-73-61(54)79)78-64(83)47-25-14-9-15-26-47)59(57)96-99(88,90-36-24-35-71)91-38-53-56(94-69(86)50-31-20-12-21-32-50)58(95-70(87)51-33-22-13-23-34-51)67(93-53)80-42-77-55-62(80)74-40-75-63(55)81(65(84)48-27-16-10-17-28-48)66(85)49-29-18-11-19-30-49/h9-23,25-34,39-46,52-53,56-59,67-68,82,89H,24,36-38H2,1-8H3,(H,72,73,78,83)/t52-,53-,56-,57-,58-,59-,67-,68-,99?/m1/s1
InChI key：
ROGYRVZXGMZJCE-XQOZLVNMSA-N
SMILES：
CC(C)[Si](O)(O[Si](O[C@@H]1[C@@H](CO)O[C@H]([C@@H]1OP(=O)(OCCC#N)OC[C@H]1O[C@H]([C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)n1cnc2c(ncnc12)N(C(=O)c1ccccc1)C(=O)c1ccccc1)n1cnc2c(NC(=O)c3ccccc3)ncnc12)(C(C)C)C(C)C)C(C)C
Systematic name (3)：
- N-ベンゾイル-2′-O-[(2-シアノエトキシ)(N,N,2′-O,3′-O-テトラベンゾイル-5′-アデノシルオキシ)ホスフィニル]-3′-O-(1,1,3,3-テトライソプロピル-2,4-ジオキサ-1,3-ジシラブタン-1-イル)アデノシン
- (2R,3R,4R,5R)-5-{[({[(2R,3R,4R,5R)-2-(6-ベンズアミド-9H-プリン-9-イル)-4-[({[ヒドロキシビス(プロパン-2-イル)シリル]オキシ}ビス(プロパン-2-イル)シリル)オキシ]-5-(ヒドロキシメチル)オキソラン-3-イル]オキシ}(2-シアノエトキシ)ホスホリル)オキシ]メチル}-2-[6-(N-ベンゾイルベンズアミド)-9H-プリン-9-イル]-4-(ベンゾイルオキシ)オキソラン-3-イル ベンゾアート
- (2R,3R,4R,5R)-5-{[({[(2R,3R,4R,5R)-2-(6-benzamido-9H-purin-9-yl)-4-[({[hydroxybis(propan-2-yl)silyl]oxy}bis(propan-2-yl)silyl)oxy]-5-(hydroxymethyl)oxolan-3-yl]oxy}(2-cyanoethoxy)phosphoryl)oxy]methyl}-2-[6-(N-benzoylbenzamido)-9H-purin-9-yl]-4-(benzoyloxy)oxolan-3-yl benzoate
- N-Benzoyl-2′-O-[(2-cyanoethoxy)(N,N,2′-O,3′-O-tetrabenzoyl-5′-adenosyloxy)phosphinyl]-3′-O-(1,1,3,3-tetraisopropyl-2,4-dioxa-1,3-disilabutane-1-yl)adenosine
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