Chem
J-GLOBAL ID:200907026603762524   Nikkaji number:J2.656.000D

2′-O-[Bis(sodiooxy)phosphinyl]-3′-O-[3-O,4-O-bis[bis(sodiooxy)phosphinyl]-α-D-glucopyranosyl]-5′-(2-phenylethyl)-5′-deoxyadenosine

2′-O-[ビス(ソジオオキシ)ホスフィニル]-3′-O-[3-O,4-O-ビス[ビス(ソジオオキシ)ホスフィニル]-α-D-グルコピラノシル]-5′-(2-フェニルエチル)-5′-デオキシアデノシン
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: C24H28N5Na6O17P3
Molecular formula furigana: C24-H28-N5-NA6-O17-P3
Molecular weight: 889.366
InChI: InChI=1S/C24H34N5O17P3.6Na/c25-21-15-22(27-10-26-21)29(11-28-15)23-20(46-49(38,39)40)17(13(41-23)8-4-7-12-5-2-1-3-6-12)43-24-16(31)19(45-48(35,36)37)18(14(9-30)42-24)44-47(32,33)34;;;;;;/h1-3,5-6,10-11,13-14,16-20,23-24,30-31H,4,7-9H2,(H2,25,26,27)(H2,32,33,34)(H2,35,36,37)(H2,38,39,40);;;;;;/q;6*+1/p-6/t13-,14-,16-,17-,18-,19-,20-,23-,24-;;;;;;/m1....../s1
InChI key: LKXWENCHMPYONK-ZDRNTNPCSA-H
SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCCc2ccccc2)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OP(=O)(O[Na])O[Na])[C@H](OP(=O)(O[Na])O[Na])[C@H]2O)[C@H]1OP(=O)(O[Na])O[Na]
Systematic name  (3):
  • 2′-O-[ビス(ソジオオキシ)ホスフィニル]-3′-O-[3-O,4-O-ビス[ビス(ソジオオキシ)ホスフィニル]-α-D-グルコピラノシル]-5′-(2-フェニルエチル)-5′-デオキシアデノシン
  • (2R,3R,4R,5R)-2-(6-アミノ-9H-プリン-9-イル)-4-{[(2R,3R,4R,5R,6R)-4,5-ジ{[ビス(ソジオオキシ)ホスホリル]オキシ}-3-ヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-5-(3-フェニルプロピル)オキソラン-3-イル 二ナトリウム ホスファート
  • (2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-{[(2R,3R,4R,5R,6R)-4,5-di{[bis(sodiooxy)phosphoryl]oxy}-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-(3-phenylpropyl)oxolan-3-yl disodium phosphate
Other name (1):
  • 2′-O-[Bis(sodiooxy)phosphinyl]-3′-O-[3-O,4-O-bis[bis(sodiooxy)phosphinyl]-α-D-glucopyranosyl]-5′-(2-phenylethyl)-5′-deoxyadenosine
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