Emtricitabine 5-Epimer
Impurity reference standard
- CAS number
- 145986-26-1
- InChIKey
- XQSPYNMVSIKCOC-PHDIDXHHSA-N
- Molecular formula
- C8H10FN3O3S
- Molecular weight
- 247.25
- Exact mass
- 247.0427 Da
- Purity
- 95%+
- Appearance
- White to off-white solid
- Storage
- -20℃±5℃
About Emtricitabine 5-Epimer
Emtricitabine 5-Epimer is supplied as an analytical reference standard. It is registered under CAS number 145986-26-1.
The compound is characterised by its molecular formula C8H10FN3O3S and a molecular weight of 247.25, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 247.0427 Da, a calculated LogP of -0.45, a topological polar surface area of 90.37 Ų. It presents 2 hydrogen-bond donors and 6 acceptors. The structure carries 2 defined stereocentres, which is relevant wherever a stereochemically defined standard is required. These values are commonly used to anticipate chromatographic retention and to plan ionisation conditions during method development.
Each pack ships with a certificate of analysis reporting purity of 95%+ together with the supporting analytical data — HNMR, MS and HPLC or GC traces — so the material can be released straight into your own QC workflow. Recommended storage: -20℃±5℃.
Available from stock in milligram to gram quantities; larger or custom synthesis requirements are quoted on request.
Calculated properties
Derived from the two-dimensional structure above using RDKit. Computed values describe the parent structure and are provided as a reference for method development — they are not measured data.
- LogP (Crippen)
- -0.45
- Topological polar surface area
- 90.37 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Rings
- 2
- Defined stereocentres
- 2
- Elemental composition
- C 38.86% · F 7.68% · H 4.08% · N 17.00% · O 19.41% · S 12.97%
Frequently asked questions
What purity does Emtricitabine 5-Epimer ship at?
Emtricitabine 5-Epimer is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does Emtricitabine 5-Epimer come with a certificate of analysis?
Yes. Every pack ships with a certificate of analysis plus the supporting analytical data — HNMR, MS and HPLC or GC traces.
How is Emtricitabine 5-Epimer uniquely identified?
The InChIKey XQSPYNMVSIKCOC-PHDIDXHHSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for Emtricitabine 5-Epimer?
Yes. The two-dimensional structure is drawn on this page from the SMILES record, and the SMILES or a molfile can be supplied on request.
What pack sizes are available for Emtricitabine 5-Epimer?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should Emtricitabine 5-Epimer be stored?
Recommended storage: -20℃±5℃.
Need this standard, or a related one?
Send the compound name, CAS number or a structure file — we confirm availability, pack size and lead time, usually within one business day.