(4R,5S,6R)-4,5,6,7-tetrakis(oxidanyl)-2-oxidanylidene-heptanoate phosphate

Systemtic Name: (4R,5S,6R)-4,5,6,7-tetrakis(oxidanyl)-2-oxidanylidene-heptanoate phosphate Openeye Name: (4R,5S,6R)-4,5,6,7-tetrahydroxy-2-oxo-heptanoate phosphate CAS Name: (4R,5S,6R)-4,5,6,7-tetrahydroxy-2-oxoheptanoate phosphate IUPAC Name: (4R,5S,6R)-4,5,6,7-tetrahydroxy-2-oxoheptanoate phosphate Traditional Name: (4R,5S,6R)-4,5,6,7-tetrahydroxy-2-keto-enanthate phosphate Formula: C7H11O11P-4 MolecularWeight: 302.129401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(CO)O)O)O)C(=O)C(=O)[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

C([C@H]([C@@H]([C@@H](CO)O)O)O)C(=O)C(=O)[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C7H12O7.H3O4P/c8-2-5(11)6(12)3(9)1-4(10)7(13)14;1-5(2,3)4/h3,5-6,8-9,11-12H,1-2H2,(H,13,14);(H3,1,2,3,4)/p-4/t3-,5-,6+;/m1./s1