7-Deaza-3'F-5-Cl-PurineTP
Basic information
- CAS
132087-47-9- Standard SMILES
O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc3c(Cl)ncnc32)C[C@@H]1F- InChIKey
MFMYBMRZVQKYML-DJLDLDEBSA-N- Molecular formula
- C11H14ClFN3O11P3
- Average molar mass
- 511.61 g/mol
- Monoisotopic mass
- 510.9513751
Names & identifiers
- Preferred name
- 7-Deaza-3'F-5-Cl-PurineTP
- IUPAC
- [[(2R,3S,5R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Names & synonyms
7-Deaza-3'F-5-Cl-PurineTP132087-47-97-Deaza-3'-fluoro-2',3'-dideoxy-5'-triphosphate-5-chloro-purine ribofuranoside7H-Pyrrolo(2,3-d)pyrimidine, 4-chloro-7-(2,3-dideoxy-3-fluoro-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-erythro-pentofuranosyl)-DTXSID20157348[[(2R,3S,5R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-fluoro-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate4-Chloro-7-[2,3-dideoxy-3-fluoro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl]-7H-pyrrolo[2,3-d]pyrimidine7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-7-[2,3-dideoxy-3-fluoro-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-.beta.-D-erythro-pentofuranosyl]-
Database identifiers
- CAS
132087-47-9- PubChem CID
- 453368
- DTXSID
DTXSID20157348
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 776
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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