3,4-Dideoxyglucosone-3-ene
Impurity reference standard
- CAS number
- 252006-38-5
- InChIKey
- WNKYVCKDIDTELO-NJXYFUOMSA-N
- Molecular formula
- C6H8O4
- Molecular weight
- 144.13
- Exact mass
- 144.0423 Da
- Purity
- 95%+
- Appearance
- Light Yellow Oil
- Storage
- -20℃±5℃
About 3,4-Dideoxyglucosone-3-ene
3,4-Dideoxyglucosone-3-ene is supplied as an analytical reference standard. It is registered under CAS number 252006-38-5.
The compound is characterised by its molecular formula C6H8O4 and a molecular weight of 144.13, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 144.0423 Da, a calculated LogP of -1.18, a topological polar surface area of 66.76 Ų. It presents 2 hydrogen-bond donors and 4 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)
- -1.18
- Topological polar surface area
- 66.76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Rings
- 1
- Defined stereocentres
- 2
- Elemental composition
- C 50.00% · H 5.60% · O 44.40%
Frequently asked questions
What purity does 3,4-Dideoxyglucosone-3-ene ship at?
3,4-Dideoxyglucosone-3-ene is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does 3,4-Dideoxyglucosone-3-ene 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 3,4-Dideoxyglucosone-3-ene uniquely identified?
The InChIKey WNKYVCKDIDTELO-NJXYFUOMSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for 3,4-Dideoxyglucosone-3-ene?
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 3,4-Dideoxyglucosone-3-ene?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should 3,4-Dideoxyglucosone-3-ene 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.