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
Oritavancin Diphosphate
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| IUPAC Name | (1S,2R,18R,19R,22S,25R,28R,40S)-2-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5R,6S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18,32,35,37-tetrahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid;phosphoric acid | |
|---|---|---|
| CAS Number | 192564-14-0 | |
| Molecular Formula |
C86H97Cl3N10O26.2H3O4P |
|
| Molecular Weight (MW) | 1989.09 | |
| SMILES | CNC(CC(C)C)C(=O)NC1C(O)C2=CC(=C(OC3=C(OC4OC(CO)C(O)C(O)C4OC5CC(C)(NCC6=CC=C(C=C6)C7=CC=C(Cl)C=C7)C(O)C(C)O5)C8=CC(=C3)C(NC(=O)C(CC(N)=O)NC1=O)C(=O)NC9C(=O)NC(C(OC%10CC(C)(N)C(O)C(C)O%10)C%11=CC(=C(O8)C=C%11)Cl)C(=O)NC(C(O)=O)C%12=C(C(=CC(=C%12)O)O)C%13=C(O)C=CC9=C%13)C=C2)Cl.O[P](O)(O)=O.O[P](O)(O)=O | |
| InChIKey | PWTROOMOPLCZHB-BHYQHFGMSA-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
(50.27 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Water | 50 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.