alpha-L-(+)-(2S,4R)-1-(2-(Hydroxymethyl)-1,3-dioxolan-4-yl)-5-fluorocytosine
Basic information
- CAS
147060-42-2- Standard SMILES
Nc1nc(=O)n([C@H]2CO[C@H](CO)O2)cc1F- InChIKey
RJKXXGNCKMQXTH-RITPCOANSA-N- Molecular formula
- C8H10FN3O4
- Average molar mass
- 231.18 g/mol
- Monoisotopic mass
- 231.06553397
Names & identifiers
- Preferred name
- alpha-L-(+)-(2S,4R)-1-(2-(Hydroxymethyl)-1,3-dioxolan-4-yl)-5-fluorocytosine
- IUPAC
- 4-amino-5-fluoro-1-[(2S,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
Names & synonyms
alpha-L-5F-3TC(+)-alpha-Dioxolan-5F-Calpha-L-Dioxolanyl-5-fluorocytidine147060-42-2alpha-L-(+)-(2S,4R)-1-(2-(Hydroxymethyl)-1,3-dioxolan-4-yl)-5-fluorocytosine.alpha.-L-5F-3TC(+).a.-Dioxolan-5F-CCHEMBL347549SCHEMBL6366472DTXSID40163587.alpha.-L-Dioxolanyl-5-fluorocytidine4-amino-5-fluoro-1-[(2S,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
Show more names
.alpha.-L-(+)-(2S,4R)-1-[2-(Hydroxymethyl)-1,3-dioxolan-4-yl]-5-fluorocytosine4-Amino-5-fluoro-1-[(2S,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2(1H)-one
Database identifiers
- CAS
147060-42-2- PubChem CID
- 455208
- DTXSID
DTXSID40163587- ChEMBL
CHEMBL347549- Nikkaji
- J545.194I
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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