Basic information
- CAS
25520-83-6- Standard SMILES
Cc1cn([C@H]2C[C@H](F)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O- InChIKey
GGCAVPJXJISBOA-XLPZGREQSA-N- Molecular formula
- C10H14FN2O7P
- Average molar mass
- 324.2 g/mol
- Monoisotopic mass
- 324.05226595
Overview
3'-fluoro-3'-deoxythymidine 5'-monophosphate has been reported in Streptomyces anthocyanicus, Streptomyces lividans, and Streptomyces albus with data available.
Names & identifiers
- Preferred name
- 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
- English name
- 3'-Fluoro-3'-deoxythymidine Monophosphate
- Molecular formula
- C10H14FN2O7P
- Molecular weight
- 324.2
Names & synonyms
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
Show more names
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
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 533
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- FDA UNII
- 6 W0IAP44B · K6W0IAP44B
Chemistry & industry
Applications
UsesA thymidine-5O-monophosphate analogue as inhibitors of Mycobacterium tuberculosis thymidylate kinase.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
上海梅凯科技有限公司15300790979 18964014359 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…