Chem
J-GLOBAL ID：201207053782147961   Nikkaji number：J3.014.653K

5-[13-(1,4,8:6,3,9-Diethanylylidenecyclodecane-1-yl)-4,7,10,13-tetraoxa-1-tridecyne-1-yl]-2′-deoxyuridine 5′-triphosphoric acid

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]-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： C32H47N2O18P3
Molecular formula furigana： C32-H47-N2-O18-P3
Molecular weight： 840.645
InChI： InChI=1S/C32H47N2O18P3/c35-27-13-29(50-28(27)18-49-54(41,42)52-55(43,44)51-53(38,39)40)34-17-20(30(36)33-31(34)37)2-1-3-45-4-5-46-6-7-47-8-9-48-32-14-24-21-10-19-11-22(24)26(16-32)23(12-19)25(21)15-32/h17,19,21-29,35H,3-16,18H2,(H,41,42)(H,43,44)(H,33,36,37)(H2,38,39,40)/t19?,21?,22?,23?,24?,25?,26?,27-,28+,29+,32?/m0/s1
InChI key： HZUATHQYHQFAST-IKOQVRHLSA-N
SMILES： O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)n1cc(C#CCOCCOCCOCCOC23CC4C5CC6CC4C(C2)C(C6)C5C3)c(=O)[nH]c1=O
Systematic name  (3)：
  • 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]-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-{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]-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-{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]-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (1)：
  • 5-[13-(1,4,8:6,3,9-Diethanylylidenecyclodecane-1-yl)-4,7,10,13-tetraoxa-1-tridecyne-1-yl]-2′-deoxyuridine 5′-triphosphoric acid
Thsaurus map：
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