Diquafosol Tetrasodium Chemical Structure (2D and 3D)

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 Diquafosol Tetrasodium product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name	tetrasodium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CAS Number	211427-08-6
Molecular Formula	C₁₈H₂₂N₄Na₄O₂₃P₄
Molecular Weight (MW)	878.23
SMILES	C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O.[Na+].[Na+].[Na+].[Na+]
InChIKey	OWTGMPPCCUSXIP-FNXFGIETSA-J

Concentration Volume Mass

Batch:

All in vitro solubility values are batch-tested experimental data (non-literature values).

Solvent	Solubility & Note
Water	100 mg/mL
DMSO	Insoluble (Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)
Ethanol	Insoluble
Water	100 mg/mL
DMSO	Insoluble (Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)
Ethanol	Insoluble

FAQ

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?