Chem
J-GLOBAL ID:200907082607982160
Nikkaji number:J689.977C
N-Methyl-N-(2-bromoethyl)amidophosphoric acid 3′-O-(tert-butyldimethylsilyl)-5-fluoro-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3′-O-(tert-ブチルジメチルシリル)-5-フルオロ-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
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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:
C25 H44 BrFN3 O9 PSi
Molecular formula furigana:
C25-H44-BR-F-N3-O9-P-SI
Molecular weight:
688.600
InChI:
InChI=1S/C25H44BrFN3O9PSi/c1-24(2,3)41(7,8)39-19-13-21(30-14-18(27)22(31)28-23(30)32)37-20(19)16-36-40(33,29(6)11-10-26)35-12-9-17-15-34-25(4,5)38-17/h14,17,19-21H,9-13,15-16H2,1-8H3,(H,28,31,32)/t17?,19-,20+,21+,40?/m0/s1
InChI key:
UECBMGMTLVFASV-AMQMYBGMSA-N
SMILES:
CN(CCBr)P(=O)(OCCC1COC(C)(C)O1)OC[C@H]1O[C@H](C[C@@H]1O[Si](C)(C)C(C)(C)C)n1cc(F)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3′-O-(tert-ブチルジメチルシリル)-5-フルオロ-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-[(tert-ブチルジメチルシリル)オキシ]オキソラン-2-イル]-5-フルオロ-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-[(tert-butyldimethylsilyl)oxy]oxolan-2-yl]-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1):
N-Methyl-N-(2-bromoethyl)amidophosphoric acid 3′-O-(tert-butyldimethylsilyl)-5-fluoro-2′-deoxy-5′-uridyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl ester
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