sodium (2R,3R,4S,5R)-6-[13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptadecakis(fluoranyl)icosan-10-yloxy-oxidanyl-phosphoryl]oxy-3,4,5-tris(oxidanyl)-1-oxidanylidene-hexan-2-olate

Systemtic Name: sodium (2R,3R,4S,5R)-6-[13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptadecakis(fluoranyl)icosan-10-yloxy-oxidanyl-phosphoryl]oxy-3,4,5-tris(oxidanyl)-1-oxidanylidene-hexan-2-olate Openeye Name: sodium (2R,3R,4S,5R)-6-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-nonyl-undecoxy)-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-1-oxo-hexan-2-olate CAS Name: sodium (2R,3R,4S,5R)-6-[13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptadecafluoroeicosan-10-yloxy(hydroxy)phosphoryl]oxy-3,4,5-trihydroxy-1-oxo-2-hexanolate IUPAC Name: sodium (2R,3R,4S,5R)-6-[13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptadecafluoroicosan-10-yloxy(hydroxy)phosphoryl]oxy-3,4,5-trihydroxy-1-oxohexan-2-olate Traditional Name: sodium (2R,3R,4S,5R)-6-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-nonyl-undecoxy)-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-1-keto-hexan-2-olate Formula: C26H35F17NaO9P MolecularWeight: 868.487085

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OP(=O)(O)OCC(C(C(C(C=O)[O-])O)O)O.[Na+]

Isomeric SMILES

CCCCCCCCCC(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OP(=O)(O)OC[C@H]([C@@H]([C@@H]([C@H](C=O)[O-])O)O)O.[Na+]

InChI

InChI=1S/C26H35F17O9P.Na/c1-2-3-4-5-6-7-8-9-14(52-53(49,50)51-13-16(46)18(48)17(47)15(45)12-44)10-11-19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)43;/h12,14-18,46-48H,2-11,13H2,1H3,(H,49,50);/q-1;+1/t14?,15-,16+,17+,18-;/m0./s1