基本情報
- CAS
25520-83-6- 標準SMILES
Cc1cn([C@H]2C[C@H](F)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O- InChIKey
GGCAVPJXJISBOA-XLPZGREQSA-N- 分子式
- C10H14FN2O7P
- 平均分子量
- 324.2 g/mol
- 単同位体質量
- 324.05226595
概要
3'-fluoro-3'-deoxythymidine 5'-monophosphate has been reported in Streptomyces anthocyanicus, Streptomyces lividans, and Streptomyces albus with data available.
名称と識別子
- 優先名称
- 3'-Fluoro-3'-deoxythymidine 5'-monophosphate
- IUPAC
- [(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
- 英語名
- 3'-Fluoro-3'-deoxythymidine Monophosphate
- 分子式
- C10H14FN2O7P
- 分子量
- 324.2
名称と別名
3'-Fluoro-3'-deoxythymidine 5'-monophosphate25520-83-63'-Deoxy-3'-fluorothymidine monophosphateUNII-K6W0IAP44BK6W0IAP44B3'-Fluoro-3'-deoxythymidine 5'-phosphate5'-Thymidylic acid, 3'-deoxy-3'-fluoro-Uridine, 2',3'-dideoxy-3'-fluoro-5-methyl-, 5'-(dihydrogen phosphate)[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate{[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid(((2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl)methoxy)phosphonic acid((2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl)methyl dihydrogen phosphate
名称をさらに表示
Gxn208363'-Deoxy-3'-fluoro-5'-thymidylic Acid3’-Deoxy-3’-fluorothymidine-5’-monophosphate2',3'-dideoxy-3'-fluoro-5-methyluridine 5'-(Dihydrogen Phosphate)
RefChem:903943'-FLUORO-3'-DEOXYTHYMIDINE MONOPHOSPHATEFDMorb2813851SCHEMBL4747720CHEMBL1160619TN8356DB03195
物性
構造計算による物性
- XLogP
- -1.4
- 極性表面積
- 125 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 8
- 回転可能結合数
- 4
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 533
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
化学と産業
応用分野
使用A thymidine-5O-monophosphate analogue as inhibitors of Mycobacterium tuberculosis thymidylate kinase.
上流・下流製品情報
上流原料
サプライヤー1 社
上海梅凯科技有限公司15300790979 18964014359 · [email protected]
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