Sodium (2R,3R,4S,5R)-6-[5-(13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-Heptadecafluoroicosan-10-Yloxy)Pentoxy-Hydroxyphosphoryl]Oxy-3,4,5-Trihydroxy-1-Oxohexan-2-Olate
[CAS# 172916-27-7]

Identification

• Name: Sodium (2R,3R,4S,5R)-6-[5-(13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-Heptadecafluoroicosan-10-Yloxy)Pentoxy-Hydroxyphosphoryl]Oxy-3,4,5-Trihydroxy-1-Oxohexan-2-Olate
• Synonyms: Sodium (2R,3R,4S,5R)-6-[5-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-1-Nonyl-Undecoxy)Pentoxy-Hydroxy-Phosphoryl]Oxy-3,4,5-Trihydroxy-1-Oxo-Hexan-2-Olate; Sodium (2R,3R,4S,5R)-6-[5-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-1-Nonylundecoxy)Pentoxy-Hydroxyphosphoryl]Oxy-3,4,5-Trihydroxy-1-Oxohexan-2-Olate; Sodium (2R,3R,4S,5R)-6-[5-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-1-Nonyl-Undecoxy)Pentoxy-Hydroxy-Phosphoryl]Oxy-3,4,5-Trihydroxy-1-Keto-Hexan-2-Olate
• Molecular Formula: C₃₁H₄₅F₁₇NaO₁₀P
• Molecular Weight: 954.63
• CAS Registry Number: 172916-27-7
• SMILES: [C@H](O)([C@H](O)CO[P](OCCCCCOC(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCCCCCCC)(=O)O)[C@H](O)[C@@H]([O-])C=O.[Na+]
• InChI: 1S/C31H45F17O10P.Na/c1-2-3-4-5-6-7-9-12-19(56-15-10-8-11-16-57-59(54,55)58-18-21(51)23(53)22(52)20(50)17-49)13-14-24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)30(44,45)31(46,47)48;/h17,19-23,51-53H,2-16,18H2,1H3,(H,54,55);/q-1;+1/t19?,20-,21+,22+,23-;/m0./s1
• InChIKey: DPEDSLFQGYRZSA-DGBVNISCSA-N

Properties

• Boiling point: 715.9°C at 760 mmHg (Cal.)
• Flash point: 386.8°C (Cal.)