Chem
J-GLOBAL ID：200907084360177300   Nikkaji number：J690.001A

N,N-Bis(2-bromoethyl)amidophosphoric acid 2′-deoxy-5′-uridyl 2-[2,2-dimethyl-1,3-dioxolan-4-yl]ethyl ester

N,N-ビス(2-ブロモエチル)アミドりん酸2′-デオキシ-5′-ウリジル2-[2,2-ジメチル-1,3-ジオキソラン-4-イル]エチル
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： C20H32Br2N3O9P
Molecular formula furigana： C20-H32-BR2-N3-O9-P
Molecular weight： 649.270
InChI： InChI=1S/C20H32Br2N3O9P/c1-20(2)30-12-14(34-20)4-10-31-35(29,24(8-5-21)9-6-22)32-13-16-15(26)11-18(33-16)25-7-3-17(27)23-19(25)28/h3,7,14-16,18,26H,4-6,8-13H2,1-2H3,(H,23,27,28)/t14?,15-,16+,18+,35?/m0/s1
InChI key： JYRKEDRFXKPRMU-WJDIXBHBSA-N
SMILES： CC1(C)OCC(CCOP(=O)(OC[C@H]2O[C@H](C[C@@H]2O)n2ccc(=O)[nH]c2=O)N(CCBr)CCBr)O1
Systematic name  (3)：
  • N,N-ビス(2-ブロモエチル)アミドりん酸2′-デオキシ-5′-ウリジル2-[2,2-ジメチル-1,3-ジオキソラン-4-イル]エチル
  • 1-[(2R,4S,5R)-5-[({[ビス(2-ブロモエチル)アミノ][2-(2,2-ジメチル-1,3-ジオキソラン-4-イル)エトキシ]ホスホリル}オキシ)メチル]-4-ヒドロキシオキソラン-2-イル]-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 1-[(2R,4S,5R)-5-[({[bis(2-bromoethyl)amino][2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]phosphoryl}oxy)methyl]-4-hydroxyoxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • N,N-Bis(2-bromoethyl)amidophosphoric acid 2′-deoxy-5′-uridyl 2-[2,2-dimethyl-1,3-dioxolan-4-yl]ethyl ester
Thsaurus map：
Thesaurus Map

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