Chem
J-GLOBAL ID：200907016516682314   Nikkaji number：J694.962B

Phosphoric acid bis(3′-azido-3′-deoxy-5′-thymidyl)4-chlorobenzyl ester

りん酸ビス(3′-アジド-3′-デオキシ-5′-チミジル)4-クロロベンジル
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： C27H30ClN6[N-]2[N+]2O10P
Molecular formula furigana： C27-H30-CL-N10-O10-P
Molecular weight： 721.020
InChI： InChI=1S/C27H30ClN10O10P/c1-14-9-37(26(41)31-24(14)39)22-7-18(33-35-29)20(47-22)12-45-49(43,44-11-16-3-5-17(28)6-4-16)46-13-21-19(34-36-30)8-23(48-21)38-10-15(2)25(40)32-27(38)42/h3-6,9-10,18-23H,7-8,11-13H2,1-2H3,(H,31,39,41)(H,32,40,42)/t18-,19-,20+,21+,22+,23+/m0/s1
InChI key： OKLSTMVPSHASJN-ZFPSYYEBSA-N
SMILES： Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(OC[C@H]3O[C@H](C[C@@H]3N=[N+]=[N-])n3cc(C)c(=O)[nH]c3=O)OCc3ccc(Cl)cc3)O2)c(=O)[nH]c1=O
Systematic name  (3)：
  • りん酸ビス(3′-アジド-3′-デオキシ-5′-チミジル)4-クロロベンジル
  • ビス{[(2S,3S,5R)-3-アジド-5-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)オキソラン-2-イル]メチル} (4-クロロフェニル)メチル ホスファート
  • bis{[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl} (4-chlorophenyl)methyl phosphate
Other name (1)：
  • Phosphoric acid bis(3′-azido-3′-deoxy-5′-thymidyl)4-chlorobenzyl ester
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