Basic information
- CAS
131086-23-2- Standard SMILES
Nc1ccn([C@H]2CS(=O)[C@@H](CO)O2)c(=O)n1- InChIKey
LJMQAXFNQNADRZ-FYZWQCAOSA-N- Molecular formula
- C8H11N3O4S
- Average molar mass
- 245.26 g/mol
- Monoisotopic mass
- 245.04702701
Overview
Lamivudine sulfoxide is a nucleobase-containing molecular entity and a carbohydrate derivative.
Names & identifiers
- Preferred name
- 5-(2-Hydroxy-4-iminopyrimidin-1(4H)-yl)-2-(hydroxymethyl)-1,3lambda~4~-oxathiolan-3-one
- IUPAC
- 4-amino-1-[(2S,5R)-2-(hydroxymethyl)-3-oxo-1,3-oxathiolan-5-yl]pyrimidin-2-one
Names & synonyms
DTXSID809270695-(2-Hydroxy-4-iminopyrimidin-1(4H)-yl)-2-(hydroxymethyl)-1,3lambda~4~-oxathiolan-3-oneRefChem:1072397DTXCID1013558714-amino-1-[(2S,5R)-2-(hydroxymethyl)-3-oxo-1,3-oxathiolan-5-yl]pyrimidin-2-oneGI 138870XLamivudine-sulfoxideCHEBI:168474131086-23-21-(2-Hydroxymethyl-3-oxo-1,3-oxathiolan-5-yl)-cytosine(2S,5R)-5-(2-Hydroxy-4-iminopyrimidin-1(4H)-yl)-2-(hydroxymethyl)-1,3lambda~4~-oxathiolan-3-one2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-3-oxido-1,3-oxathiolan-5-yl]-, (2a,5a)-
Database identifiers
- CAS
131086-23-2- PubChem CID
- 452020
- DTXSID
DTXSID80927069- ChEBI
CHEBI:168474
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 395
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Lamivudine
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Cellular LocationsCytoplasm
Metabolite PathwaysLamivudine Metabolism Pathway
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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