Tetrasodium sparfosate
Basic information
- CAS
60342-56-5- Standard SMILES
O=C([O-])C[C@H](NC(=O)CP(=O)([O-])[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]- InChIKey
WZCWSQWJAAXHCP-QVTWQEFQSA-J- Molecular formula
- C6H6NNa4O8P
- Average molar mass
- 343.05 g/mol
- Monoisotopic mass
- 342.94218028
Names & identifiers
- Preferred name
- Tetrasodium sparfosate
- IUPAC
- tetrasodium;(2S)-2-[(2-phosphonatoacetyl)amino]butanedioate
Names & synonyms
Tetrasodium SparfosateRefChem:1099747N-(Phosphonoacetyl)-L-aspartic acid tetrasodium salt60342-56-5NSC 224131Sparfosate tetrasodiumSodium (2-phosphonatoacetyl)-L-aspartateSCHEMBL859681DTXSID901364535tetrasodium;(2S)-2-[(2-phosphonatoacetyl)amino]butanedioateL-ASPARTIC ACID, N-(PHOSPHONOACETYL)-, TETRASODIUM SALT
Database identifiers
- CAS
60342-56-5- PubChem CID
- 43252
- DTXSID
DTXSID901364535
Properties
Computed structural properties
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
Experimental & physicochemical properties
SolubilityWater > 950 (mg/mL)
Optical Rotation(c = 1, H2O) [a]20D = +14.2 ± 2°
Stability/Shelf Life
Bulk: The compound is very stable as the bulk drug. The bulk material is hygroscopic; protect from moisture when storing. Solution: The compound is very stable in aqueous solution (qualitative). PALA (1mg/mL) is chemically stable for at least 2 weeks at room temperature in aqueous solution.
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Related reactions
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Compound notes
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