5-Fhmed-cytosine
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Basic information
- CAS
145397-26-8- Standard SMILES
Nc1nc(=O)n([C@@H]2CO[C@H](CO)O2)cc1F- InChIKey
RJKXXGNCKMQXTH-WDSKDSINSA-N- Molecular formula
- C8H10FN3O4
- Average molar mass
- 231.18 g/mol
- Monoisotopic mass
- 231.06553397
Overview
structure given in first source; has anti-HIV activity; RN refers to (2S-cis)-isomer
Names & identifiers
- Preferred name
- 5-Fhmed-cytosine
- IUPAC
- 4-amino-5-fluoro-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
- English name
- 5-fluoro-1-(2-(hydroxymethyl)-1,3-dioxolan-4-yl)cytosine
- Molecular formula
- C8H10FN3O4
- Molecular weight
- 231.18
Names & synonyms
145397-26-85-Fhmed-cytosineRQ3X62U8VMDTXSID801630015-Fluoro-1-(2-(hydroxymethyl)-1,3-dioxolan-4-yl)cytosine2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-dioxolan-4-yl)-, (2S-cis)-RefChem:913368DTXCID6085492Emtricitabine Impurity 144-amino-5-fluoro-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one4-amino-5-fluoro-1-((2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl)pyrimidin-2(1H)-one(-)-?-D-Dioxolane-5-fluoro Cytidine
Show more names
Emtricitabine Impurity 8Emtricitabine EP Impurity-JEmtricitabine related impurities 2(-)--D-Dioxolane-5-fluoro Cytidine(-)-β-D-Dioxolane-5-fluoro Cytidine(-)-β-D-Dioxolane-5-fluoro Cytidine, CAS 145397-26-84-Amino-5-fluoro-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2(1H)-pyrimidinone
4-amino-5-fluoro-1-[(2s,4s)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2(1h)-one2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-UNII-RQ3X62U8VM(-)-beta-D-Dioxolane-5-fluoro cytidineL-DOFCL-FDOCEmtricitabine Impurity 4(-)-FDOC
Database identifiers
- CAS
145397-26-8- PubChem CID
- 477194
- DTXSID
DTXSID80163001- ChEMBL
CHEMBL148993- UNII
- RQ3X62U8VM
- Nikkaji
- J545.193K
Properties
Computed structural propertiesFilling in
- XLogP
- -1.9
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Boiling point
- 391.2 · 391.2±52.0 °C(Predicted)
- Density
- 1.81 · 1.81±0.1 g/cm3(Predicted)
- pka
- 14.83 · 14.83±0.10(Predicted)
- FDA UNII
- 3 X62U8VM · RQ3X62U8VM
Chemistry & industry
Applications
UsesA reverse transcriptase enantiomer antiviral. A nucleoside as potential anti-HIV agent. Emtricitabine (E525000) analogue.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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