Chem
J-GLOBAL ID：200907059360566875   Nikkaji number：J689.996J

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

N-メチル-N-(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： C20H33BrN3O9P
Molecular formula furigana： C20-H33-BR-N3-O9-P
Molecular weight： 570.374
InChI： InChI=1S/C20H33BrN3O9P/c1-13-10-24(19(27)22-18(13)26)17-9-15(25)16(32-17)12-31-34(28,23(4)7-6-21)30-8-5-14-11-29-20(2,3)33-14/h10,14-17,25H,5-9,11-12H2,1-4H3,(H,22,26,27)/t14?,15-,16+,17+,34?/m0/s1
InChI key： KXVYWGPDNZTEKU-CKWFWEKVSA-N
SMILES： CN(CCBr)P(=O)(OCCC1COC(C)(C)O1)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Systematic name  (3)：
  • N-メチル-N-(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-[({[(2-ブロモエチル)(メチル)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-[({[(2-bromoethyl)(methyl)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-Methyl-N-(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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