Chem
J-GLOBAL ID：200907030847389997   Nikkaji number：J690.002J

N,N-Bis(2-bromoethyl)amidophosphoric acid 5-methyl-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5-メチル-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： C21H34Br2N3O9P
Molecular formula furigana： C21-H34-BR2-N3-O9-P
Molecular weight： 663.297
InChI： InChI=1S/C21H34Br2N3O9P/c1-14-11-26(20(29)24-19(14)28)18-10-16(27)17(34-18)13-33-36(30,25(7-5-22)8-6-23)32-9-4-15-12-31-21(2,3)35-15/h11,15-18,27H,4-10,12-13H2,1-3H3,(H,24,28,29)/t15?,16-,17+,18+,36?/m0/s1
InChI key： DEXUXUUUGIVGPD-JDZBHACCSA-N
SMILES： Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(OCCC3COC(C)(C)O3)N(CCBr)CCBr)O2)c(=O)[nH]c1=O
Systematic name  (3)：
  • N,N-ビス(2-ブロモエチル)アミドりん酸5-メチル-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]-5-メチル-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]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • N,N-Bis(2-bromoethyl)amidophosphoric acid 5-methyl-2′-deoxy-5′-uridyl 2-[2,2-dimethyl-1,3-dioxolan-4-yl]ethyl ester
Thsaurus map：
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