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Chemical structure of PtdIns-(4,5)-P2 (1,2-dipalmitoyl) (sodium salt)

GC44765

PtdIns-(4,5)-P2 (1,2-dipalmitoyl) (sodium salt)

Also known as trisodium;[(1R,2S,3R,4R,5S,6R)-3-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-oxidophosphoryl]oxy-2,4,5-trihydroxy-6-[hydroxy(oxido)phosphoryl]oxycyclohexyl] hydrogen phosphate

The phosphatidylinositol (PtdIns) phosphates represent a small percentage of total membrane phospholipids

ChemicalCAS1628353-01-4MW1036.9FormulaC41H78O19P3 •3Na
CAS number
1628353-01-4
Molecular weight
1036.9
Formula
C41H78O19P3 •3Na
Solubility
Chloroform： ·1 mg/ml,Chloroform：Methanol：Water： 1 mg/ml,Water： 10 mg/ml
InChIKey
STJBVCQNLFXTFJ-QNYQTKJTSA-K
Catalogue number
GC44765
Brand
GLPBIO
Computed properties PubChem CID 132285281 · TPSA 311 Ų · H-bond donors 5 · H-bond acceptors 19
TPSA
311 Ų
H-bond donors
5
H-bond acceptors
19
Rotatable bonds
42
Heavy atoms
66

SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)[O-])OP(=O)(O)[O-])O)O)OC(=O)CCCCCCCCCCCCCCC.[Na+].[Na+].[Na+]

Computed descriptors from PubChem (CID 132285281), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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