1,2-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)-1-fluoro-, (-1alpha,2beta,3alpha)-
Basic information
- CAS
162338-12-7- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1C[C@](F)(CO)[C@H]1CO- InChIKey
FMEQWFGAYHJWAO-CVJICSNFSA-N- Molecular formula
- C11H14FN5O2
- Average molar mass
- 267.26 g/mol
- Monoisotopic mass
- 267.11315287
Names & identifiers
- Preferred name
- 1,2-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)-1-fluoro-, (-1alpha,2beta,3alpha)-
- IUPAC
- [(1R,2R,4R)-4-(6-aminopurin-9-yl)-2-fluoro-2-(hydroxymethyl)cyclobutyl]methanol
Names & synonyms
F-C-Oxt-A3'-F-C-oxetanocin A9-(Bis(OHMe)cBu)A162338-12-71,2-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)-1-fluoro-, (-1alpha,2beta,3alpha)-9-[Bis(OHMe)cBu]A(1R-1alpha,2beta,3alpha)-6-Amino-9-(3-fluoro-2,3-bis(hydroxymethyl)cyclobutyl)purineCHEMBL5394082DTXSID80167362[(1R,2R,4R)-4-(6-aminopurin-9-yl)-2-fluoro-2-(hydroxymethyl)cyclobutyl]methanol[(1R,2R,3R)-3-(6-Amino-9H-purin-9-yl)-1-fluorocyclobutane-1,2-diyl]dimethanol[1R-1.alpha.,2.beta.,3.alpha.]-6-Amino-9-[3-fluoro-2,3-bis(hydroxymethyl)cyclobutyl]purine
Show more names
1,2-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)-1-fluoro-, (-1.alpha.,2.beta.,3.alpha.)-
Database identifiers
- CAS
162338-12-7- PubChem CID
- 452963
- DTXSID
DTXSID80167362- ChEMBL
CHEMBL5394082- Nikkaji
- J1.540.226A
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
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Compound notes
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