1R 3S 4R-Ent-Entecavir
Impurity reference standard
- CAS number
- 188399-46-4
- InChIKey
- QDGZDCVAUDNJFG-BWZBUEFSSA-N
- Molecular formula
- C12H15N5O3
- Molecular weight
- 277.28
- Exact mass
- 277.1175 Da
- Purity
- 95%+
- Appearance
- White to off-white solid
- Storage
- 2℃ ~ 8℃
About 1R 3S 4R-Ent-Entecavir
1R 3S 4R-Ent-Entecavir is supplied as an analytical reference standard. It is registered under CAS number 188399-46-4.
The compound is characterised by its molecular formula C12H15N5O3 and a molecular weight of 277.28, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 277.1175 Da, a calculated LogP of -0.83, a topological polar surface area of 130.05 Ų. It presents 4 hydrogen-bond donors and 6 acceptors. The structure carries 3 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: 2℃ ~ 8℃.
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)
- -0.83
- Topological polar surface area
- 130.05 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Rings
- 3
- Defined stereocentres
- 3
- Elemental composition
- C 51.98% · H 5.45% · N 25.26% · O 17.31%
Frequently asked questions
What purity does 1R 3S 4R-Ent-Entecavir ship at?
1R 3S 4R-Ent-Entecavir is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does 1R 3S 4R-Ent-Entecavir 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 1R 3S 4R-Ent-Entecavir uniquely identified?
The InChIKey QDGZDCVAUDNJFG-BWZBUEFSSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for 1R 3S 4R-Ent-Entecavir?
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 1R 3S 4R-Ent-Entecavir?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should 1R 3S 4R-Ent-Entecavir be stored?
Recommended storage: 2℃ ~ 8℃.
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.