Dalbavancin Nucleus A40926(Mixture)
Impurity reference standard
- CAS number
- 102961-72-8
- InChIKey
- JXJIMSLVLJUGMY-UHFFFAOYSA-N
- Molecular formula
- C83H88CL2N8O29
- Molecular weight
- 1732.56
- Exact mass
- 1772.5140 Da
- Purity
- 95%+
- Appearance
- White to Pale Grey Solid
- Storage
- -20℃±5℃
About Dalbavancin Nucleus A40926(Mixture)
Dalbavancin Nucleus A40926(Mixture) is supplied as an analytical reference standard. It is registered under CAS number 102961-72-8.
The compound is characterised by its molecular formula C83H88CL2N8O29 and a molecular weight of 1732.56, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 1772.5140 Da, a calculated LogP of 4.76, a topological polar surface area of 583.54 Ų. It presents 20 hydrogen-bond donors and 29 acceptors. The structure carries 18 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)
- 4.76
- Topological polar surface area
- 583.54 Ų
- Hydrogen bond donors
- 20
- Hydrogen bond acceptors
- 29
- Rotatable bonds
- 19
- Heavy atoms
- 125
- Rings
- 16
- Defined stereocentres
- 18
- Elemental composition
- C 57.53% · Cl 4.00% · H 5.11% · N 6.31% · O 27.05%
Frequently asked questions
What purity does Dalbavancin Nucleus A40926(Mixture) ship at?
Dalbavancin Nucleus A40926(Mixture) is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does Dalbavancin Nucleus A40926(Mixture) 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 Dalbavancin Nucleus A40926(Mixture) uniquely identified?
The InChIKey JXJIMSLVLJUGMY-UHFFFAOYSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for Dalbavancin Nucleus A40926(Mixture)?
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 Dalbavancin Nucleus A40926(Mixture)?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should Dalbavancin Nucleus A40926(Mixture) 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.