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Chemical structure of S186

GC37579

S186

S186 is a kind of sodium salts of calcium-acetylpropylamine phosphonate(APA); a new strontium-specific chelating agent

ChemicalCAS97759-16-5MW324.17FormulaC5H13CaNNaO7P2
CAS number
97759-16-5
Molecular weight
324.17
Formula
C5H13CaNNaO7P2
Solubility
H2O : 25 mg/mL (77·85 mM; Need ultrasonic); DMSO : < 1 mg/mL (insoluble or slightly soluble)
InChIKey
WPTHTLCSASTWJP-UHFFFAOYSA-N
Catalogue number
GC37579
Brand
GLPBIO
Computed properties PubChem CID 127255645 · TPSA 144 Ų · H-bond donors 5 · H-bond acceptors 7
TPSA
144 Ų
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
17

SMILES CCC(NC(=O)C)(P(=O)(O)O)P(=O)(O)O.[Na].[Ca]

Computed descriptors from PubChem (CID 127255645), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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