7-Deaza-3'FATP
Basic information
- CAS
132062-53-4- Standard SMILES
Nc1ncnc2c1ccn2[C@H]1C[C@H](F)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1- InChIKey
UJXIWLFWJMJWHV-DJLDLDEBSA-N- Molecular formula
- C11H16FN4O11P3
- Average molar mass
- 492.18 g/mol
- Monoisotopic mass
- 492.00124649
Names & identifiers
- Preferred name
- 7-Deaza-3'FATP
- IUPAC
- [[(2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Names & synonyms
7-Deaza-3'FATP7-Deaza-3'-FATP132062-53-47-Deaza-3'-fluoro-2',3'-dideoxy-5'-triphosphate-adenosine7H-Pyrrolo(2,3-d)pyrimidin-4-amine, 7-(2,3-dideoxy-3-fluoro-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-erythro-pentofuranosyl)-DTXSID10157337[[(2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-fluoro-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate7-[2,3-Dideoxy-3-fluoro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-[2,3-dideoxy-3-fluoro-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-erythro-pentofuranosyl]-
Database identifiers
- CAS
132062-53-4- PubChem CID
- 453367
- DTXSID
DTXSID10157337
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 773
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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