Chem
J-GLOBAL ID:200907052219172389   Nikkaji number:J689.992G

N-Methyl-N-[2-(tosyloxy)ethyl]amidophosphoric acid 5-fluoro-2′-deoxy-5′-uridyl 2-[(4,4,6-trimethyltetrahydro-2H-1,3-oxazin)-2-yl]ethyl ester

N-メチル-N-[2-(トシルオキシ)エチル]アミドりん酸5-フルオロ-2′-デオキシ-5′-ウリジル2-[(4,4,6-トリメチルテトラヒドロ-2H-1,3-オキサジン)-2-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: C28H42FN4O11PS
Molecular formula furigana: C28-H42-F-N4-O11-P-S
Molecular weight: 692.690
InChI: InChI=1S/C28H42FN4O11PS/c1-18-6-8-20(9-7-18)46(38,39)42-13-11-32(5)45(37,40-12-10-24-31-28(3,4)15-19(2)43-24)41-17-23-22(34)14-25(44-23)33-16-21(29)26(35)30-27(33)36/h6-9,16,19,22-25,31,34H,10-15,17H2,1-5H3,(H,30,35,36)/t19?,22-,23+,24?,25+,45?/m0/s1
InChI key: JNBHNCNOLDSPIH-XLDNLLFWSA-N
SMILES: CC1CC(C)(C)NC(CCOP(=O)(OC[C@H]2O[C@H](C[C@@H]2O)n2cc(F)c(=O)[nH]c2=O)N(C)CCOS(=O)(=O)c2ccc(C)cc2)O1
Systematic name  (3):
  • N-メチル-N-[2-(トシルオキシ)エチル]アミドりん酸5-フルオロ-2′-デオキシ-5′-ウリジル2-[(4,4,6-トリメチルテトラヒドロ-2H-1,3-オキサジン)-2-イル]エチル
  • 5-フルオロ-1-[(2R,4S,5R)-4-ヒドロキシ-5-[({[メチル({2-[(4-メチルベンゼンスルホニル)オキシ]エチル})アミノ][2-(4,4,6-トリメチル-1,3-オキサジナン-2-イル)エトキシ]ホスホリル}オキシ)メチル]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
  • 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-[({[methyl({2-[(4-methylbenzenesulfonyl)oxy]ethyl})amino][2-(4,4,6-trimethyl-1,3-oxazinan-2-yl)ethoxy]phosphoryl}oxy)methyl]oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1):
  • N-Methyl-N-[2-(tosyloxy)ethyl]amidophosphoric acid 5-fluoro-2′-deoxy-5′-uridyl 2-[(4,4,6-trimethyltetrahydro-2H-1,3-oxazin)-2-yl]ethyl ester
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