5'-Deoxy-5'-Methylthioadenosine
Impurity reference standard
- CAS number
- 2457-80-9
- InChIKey
- WUUGFSXJNOTRMR-IOSLPCCCSA-N
- Molecular formula
- C11H15N5O3S
- Molecular weight
- 297.33
- Exact mass
- 297.0896 Da
- Purity
- 95%+
- Appearance
- White Solid
- Storage
- -20℃±5℃
About 5'-Deoxy-5'-Methylthioadenosine
5'-Deoxy-5'-Methylthioadenosine is supplied as an analytical reference standard. It is registered under CAS number 2457-80-9.
The compound is characterised by its molecular formula C11H15N5O3S and a molecular weight of 297.33, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 297.0896 Da, a calculated LogP of -0.61, a topological polar surface area of 119.31 Ų. It presents 3 hydrogen-bond donors and 8 acceptors. The structure carries 4 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)
- -0.61
- Topological polar surface area
- 119.31 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Rings
- 3
- Defined stereocentres
- 4
- Elemental composition
- C 44.43% · H 5.09% · N 23.55% · O 16.14% · S 10.78%
Frequently asked questions
What purity does 5'-Deoxy-5'-Methylthioadenosine ship at?
5'-Deoxy-5'-Methylthioadenosine is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does 5'-Deoxy-5'-Methylthioadenosine 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 5'-Deoxy-5'-Methylthioadenosine uniquely identified?
The InChIKey WUUGFSXJNOTRMR-IOSLPCCCSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for 5'-Deoxy-5'-Methylthioadenosine?
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 5'-Deoxy-5'-Methylthioadenosine?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should 5'-Deoxy-5'-Methylthioadenosine 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.