[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)-2-phosphonooxy-oxan-2-yl] 3-oxidanyl-4-phosphonooxy-decanoate

Systemtic Name: [6-(hydroxymethyl)-3,4,5-tris(oxidanyl)-2-phosphonooxy-oxan-2-yl] 3-oxidanyl-4-phosphonooxy-decanoate Openeye Name: [3,4,5-trihydroxy-6-(hydroxymethyl)-2-phosphonooxy-tetrahydropyran-2-yl] 3-hydroxy-4-phosphonooxy-decanoate CAS Name: 3-hydroxy-4-phosphonooxydecanoic acid [3,4,5-trihydroxy-6-(hydroxymethyl)-2-phosphonooxy-2-oxanyl] ester IUPAC Name: [3,4,5-trihydroxy-6-(hydroxymethyl)-2-phosphonooxyoxan-2-yl] 3-hydroxy-4-phosphonooxydecanoate Traditional Name: 3-hydroxy-4-phosphonooxy-capric acid (3,4,5-trihydroxy-6-methylol-2-phosphonooxy-tetrahydropyran-2-yl) ester Formula: C16H32O16P2 MolecularWeight: 542.363202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CC(=O)OC1(C(C(C(C(O1)CO)O)O)O)OP(=O)(O)O)O)OP(=O)(O)O

Isomeric SMILES

CCCCCCC(C(CC(=O)OC1(C(C(C(C(O1)CO)O)O)O)OP(=O)(O)O)O)OP(=O)(O)O

InChI

InChI=1S/C16H32O16P2/c1-2-3-4-5-6-10(31-33(23,24)25)9(18)7-12(19)30-16(32-34(26,27)28)15(22)14(21)13(20)11(8-17)29-16/h9-11,13-15,17-18,20-22H,2-8H2,1H3,(H2,23,24,25)(H2,26,27,28)