dialuminum [(3S,4R)-3,4,5-tris(oxidanyl)pentanoyl] phosphate

Systemtic Name: dialuminum [(3S,4R)-3,4,5-tris(oxidanyl)pentanoyl] phosphate Openeye Name: dialuminum [(3S,4R)-3,4,5-trihydroxypentanoyl] phosphate CAS Name: dialuminum [(3S,4R)-3,4,5-trihydroxy-1-oxopentyl] phosphate IUPAC Name: dialuminum [(3S,4R)-3,4,5-trihydroxypentanoyl] phosphate Traditional Name: dialuminum [(3S,4R)-3,4,5-trihydroxypentanoyl] phosphate Formula: C15H27Al2O24P3 MolecularWeight: 738.244839

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(CO)O)O)C(=O)OP(=O)([O-])[O-].C(C(C(CO)O)O)C(=O)OP(=O)([O-])[O-].C(C(C(CO)O)O)C(=O)OP(=O)([O-])[O-].[Al+3].[Al+3]

Isomeric SMILES

C([C@@H]([C@@H](CO)O)O)C(=O)OP(=O)([O-])[O-].C([C@@H]([C@@H](CO)O)O)C(=O)OP(=O)([O-])[O-].C([C@@H]([C@@H](CO)O)O)C(=O)OP(=O)([O-])[O-].[Al+3].[Al+3]

InChI

InChI=1S/3C5H11O8P.2Al/c3*6-2-4(8)3(7)1-5(9)13-14(10,11)12;;/h3*3-4,6-8H,1-2H2,(H2,10,11,12);;/q;;;2*+3/p-6/t3*3-,4+;;/m000../s1