Basic information
- CAS
135295-28-2- Standard SMILES
Nc1nc(N)c2ncn(CC(CF)OCP(=O)(O)O)c2n1- InChIKey
GFVHBMMZFJJYDN-UHFFFAOYSA-N- Molecular formula
- C9H14FN6O4P
- Average molar mass
- 320.22 g/mol
- Monoisotopic mass
- 320.07981811
Names & identifiers
- Preferred name
- Phosphonic acid, ((2-(2,6-diamino-9H-purin-9-yl)-1-(fluoromethyl)ethoxy)methyl)-, (1)-
- IUPAC
- [1-(2,6-diaminopurin-9-yl)-3-fluoropropan-2-yl]oxymethylphosphonic acid
Names & synonyms
FPMPDAP135295-28-2(RS) 9-((2RS)-3-Fluoro-2-phosphonylmethoxypropyl)-2,6-diaminopurinePhosphonic acid, ((2-(2,6-diamino-9H-purin-9-yl)-1-(fluoromethyl)ethoxy)methyl)-, (1)-(RS) 9-[(2RS)-3-Fluoro-2-phosphonylmethoxypropyl]-2,6-diaminopurinePhosphonic acid, [[2-(2,6-diamino-9H-purin-9-yl)-1-(fluoromethyl)ethoxy]methyl]-, (1)-RefChem:370364SCHEMBL3860363SCHEMBL29624179DTXSID10928948[1-[(2,6-diaminopurin-9-yl)methyl]-2-fluoro-ethoxy]methylphosphonic acid({[1-(6-Amino-2-imino-1,2-dihydro-9H-purin-9-yl)-3-fluoropropan-2-yl]oxy}methyl)phosphonic acid
Database identifiers
- CAS
135295-28-2- PubChem CID
- 452995
- DTXSID
DTXSID10928948- Nikkaji
- J567.019E
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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