Chem
J-GLOBAL ID：201207024432561404   Nikkaji number：J3.014.656E

5-[13-(1-Adamantyl)-4,7,10,13-tetraoxa-1-tridecyne-1-yl]-2′-deoxyuridine 5′-triphosphoric acid

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]-2′-デオキシウリジン5′-三りん酸
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： C28H43N2O18P3
Molecular formula furigana： C28-H43-N2-O18-P3
Molecular weight： 788.569
InChI： InChI=1S/C28H43N2O18P3/c31-23-13-25(46-24(23)18-45-50(37,38)48-51(39,40)47-49(34,35)36)30-17-22(26(32)29-27(30)33)2-1-3-41-4-5-42-6-7-43-8-9-44-28-14-19-10-20(15-28)12-21(11-19)16-28/h17,19-21,23-25,31H,3-16,18H2,(H,37,38)(H,39,40)(H,29,32,33)(H2,34,35,36)/t19-,20?,21?,23-,24+,25+,28-/m0/s1
InChI key： ODJACZXLUMXTDM-BEZGNSPGSA-N
SMILES： O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)n1cc(C#CCOCCOCCOCCO[C@@]23CC4C[C@@H](CC(C4)C2)C3)c(=O)[nH]c1=O
Systematic name  (3)：
  • 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]-2′-デオキシウリジン5′-三りん酸
  • ({[({[(2R,3S,5R)-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)-3-ヒドロキシオキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ](ヒドロキシ)ホスホリル}オキシ)ホスホン酸
  • ({[({[(2R,3S,5R)-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)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (1)：
  • 5-[13-(1-Adamantyl)-4,7,10,13-tetraoxa-1-tridecyne-1-yl]-2′-deoxyuridine 5′-triphosphoric acid
Thsaurus map：
Thesaurus Map

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