2D Structure
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2D chemical structural formula diagram.
3D Structure
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This 3D model represents a theoretically simulated conformation and is for reference only.
Check the
Dalbavancin
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| IUPAC Name | (2S,3S,4R,5R,6S)-6-[[(1S,2R,19R,22R,34S,37R,40R,52S)-5,32-dichloro-52-[3-(dimethylamino)propylcarbamoyl]-2,26,31,44,49-pentahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-47-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14(63),15,17(62),23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,65-henicosaen-64-yl]oxy]-3,4-dihydroxy-5-(10-methylundecanoylamino)oxane-2-carboxylic acid | |
|---|---|---|
| CAS Number | 171500-79-1 | |
| Molecular Formula |
C88H100Cl2N10O28 |
|
| Molecular Weight (MW) | 1816.69 | |
| SMILES | CNC1C(=O)NC2CC3=CC=C(OC4=C(OC5OC(C(O)C(O)C5NC(=O)CCCCCCCCC(C)C)C(O)=O)C6=CC(=C4)C(NC(=O)C(NC2=O)C7=CC(=CC(=C7Cl)O)OC8=CC=C1C=C8O)C(=O)NC9C(=O)NC(C(O)C%10=CC(=C(O6)C=C%10)Cl)C(=O)NC(C(=O)NCCCN(C)C)C%11 | |
| InChIKey | KGPGQDLTDHGEGT-SZUNQUCBSA-N |
|
Concentration
Volume
Mass
|
|---|
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
100 mg/mL
(55.04 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Water | 100 mg/mL |
| Ethanol | Insoluble |
| DMSO |
100 mg/mL
(55.04 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Water | 100 mg/mL |
| Ethanol | Insoluble |
Q: Why does a DMSO stock precipitate in media/saline?
A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.
How to fix it?
- Preheat media/saline to 37°C.
- Mix rapidly (pipette/vortex) upon addition.
- For complex mixes, always add the aqueous phase last.
- Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).
Note: Technical data last updated: Sep 1, 2026.