4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
Basic information
- CAS
145397-25-7- Standard SMILES
Nc1nc(=O)n([C@H]2CO[C@@H](CO)O2)cc1F- InChIKey
RJKXXGNCKMQXTH-PHDIDXHHSA-N- Molecular formula
- C8H10FN3O4
- Average molar mass
- 231.18 g/mol
- Monoisotopic mass
- 231.06553397
Names & identifiers
- Preferred name
- 4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
- IUPAC
- 4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
- English name
- Aids004544
- Molecular formula
- C8H10FN3O4
- Molecular weight
- 231.18
Names & synonyms
D-DOFC145417-33-0(+)-FDOC(+)-5F-Dioxolane-C145397-25-74-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2(1H)-Pyrimidinone(+)-1-((2-Hydroxymethyl)-1,4-dioxolan-4-yl)-5-fluorocytosineRel-4-amino-5-fluoro-1-((2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl)pyrimidin-2(1H)-one(+)-beta-D-FDOC(+-)-5F-Dioxolane-C
Show more names
(+/-)-FdocAids-004544Emtricitabine Impurity 4cis-Emtricitabine Impurity 2Emtricitabine dioxopentycline(+/-)-1-[2-(Hydroxymethyl)-1-4-dioxolan-4-yl]-5-fluorocytosine4-amino-5-fluoro-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-, rel-
(+)-1-[(2-Hydroxymethyl)-1,4-dioxolan-4-yl]-5-fluorocytosine(+-)-FDOCD-FDOC(+)-.beta.-D-FDOCBR8R27P3BD(+/-)-5F-Dioxolane-CCHEMBL505733SCHEMBL3437059
Database identifiers
- CAS
145397-25-7、145417-33-0- PubChem CID
- 454313
- DTXSID
DTXSID30932582- ChEMBL
CHEMBL505733- UNII
- BR8R27P3BD
- Nikkaji
- J604.847A
Properties
Computed structural properties
- 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)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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