Chem
J-GLOBAL ID：201207074419841071   Nikkaji number：J3.014.655G

5-[13-(1,4,8:3,5,12:6,3,9-Triethanylylidenecyclodecane-1-yl)-4,7,10,13-tetraoxa-1-tridecyne-1-yl]-2′-deoxyuridine 5′-triphosphoric acid

5-[13-(1,4,8:3,5,12:6,3,9-トリ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： C34H47N2O18P3
Molecular formula furigana： C34-H47-N2-O18-P3
Molecular weight： 864.667
InChI： InChI=1S/C34H47N2O18P3/c37-24-11-26(52-25(24)16-51-56(43,44)54-57(45,46)53-55(40,41)42)36-15-18(31(38)35-32(36)39)2-1-3-47-4-5-48-6-7-49-8-9-50-33-12-21-19-10-20-27-23-14-34(17-33,29(21)27)30(28(20)23)22(19)13-33/h15,19-30,37H,3-14,16-17H2,(H,43,44)(H,45,46)(H,35,38,39)(H2,40,41,42)/t19?,20?,21?,22?,23?,24-,25+,26+,27?,28?,29?,30?,33?,34?/m0/s1
InChI key： UEFZDZXZSZWWLJ-DMKWGQAASA-N
SMILES： O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)n1cc(C#CCOCCOCCOCCOC23CC4C5C6C7CC5(C2)C2C7C6CC4C2C3)c(=O)[nH]c1=O
Systematic name  (3)：
  • 5-[13-(1,4,8:3,5,12:6,3,9-トリ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-[5-(3-{2-[2-(2-{ヘプタシクロ[7.6.1.01,12.02,7.03,14.04,13.06,11]ヘキサデカン-9-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)-2,4-ジオキソ-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-[5-(3-{2-[2-(2-{heptacyclo[7.6.1.01,12.02,7.03,14.04,13.06,11]hexadecan-9-yloxy}ethoxy)ethoxy]ethoxy}prop-1-yn-1-yl)-2,4-dioxo-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-(1,4,8:3,5,12:6,3,9-Triethanylylidenecyclodecane-1-yl)-4,7,10,13-tetraoxa-1-tridecyne-1-yl]-2′-deoxyuridine 5′-triphosphoric acid
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