((3aR,4S,5R,6aS)-5-acetoxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl acetate
Impurity reference standard
- CAS number
- 62939-82-6
- InChIKey
- DOCCMIOGWPGCIS-CHWFTXMASA-N
- Molecular formula
- C12H16O6
- Molecular weight
- 256.25
- Exact mass
- 256.0947 Da
- Purity
- 95%+
- Storage
- 2℃-8℃
About ((3aR,4S,5R,6aS)-5-acetoxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl acetate
((3aR,4S,5R,6aS)-5-acetoxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl acetate is supplied as an analytical reference standard. It is registered under CAS number 62939-82-6.
The compound is characterised by its molecular formula C12H16O6 and a molecular weight of 256.25, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 256.0947 Da, a calculated LogP of 0.43, a topological polar surface area of 78.90 Ų. It presents 0 hydrogen-bond donors and 6 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: 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)
- 0.43
- Topological polar surface area
- 78.90 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Rings
- 2
- Defined stereocentres
- 4
- Elemental composition
- C 56.25% · H 6.29% · O 37.46%
Frequently asked questions
What purity does ((3aR,4S,5R,6aS)-5-acetoxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl acetate ship at?
((3aR,4S,5R,6aS)-5-acetoxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl acetate is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does ((3aR,4S,5R,6aS)-5-acetoxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl acetate 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 ((3aR,4S,5R,6aS)-5-acetoxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl acetate uniquely identified?
The InChIKey DOCCMIOGWPGCIS-CHWFTXMASA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for ((3aR,4S,5R,6aS)-5-acetoxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl acetate?
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 ((3aR,4S,5R,6aS)-5-acetoxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl acetate?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should ((3aR,4S,5R,6aS)-5-acetoxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl acetate 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.