Disodium [(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Octoxyoxan-3-Yl]Oxy-3,4,5-Trihydroxyoxan-2-Yl]Methyl Phosphate
[CAS 157758-69-5]

Identification

• Name: Disodium [(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Octoxyoxan-3-Yl]Oxy-3,4,5-Trihydroxyoxan-2-Yl]Methyl Phosphate
• Synonyms: Disodium [(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Octoxy-Tetrahydropyran-3-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methyl Phosphate; Disodium [(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Octoxy-3-Tetrahydropyranyl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Methyl Phosphate; Disodium [(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-Methylol-2-Octoxy-Tetrahydropyran-3-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methyl Phosphate
• Molecular Formula: C₂₀H₃₇Na₂O₁₄P
• Molecular Weight: 578.46
• CAS Registry Number: 157758-69-5
• SMILES: [C@H]2(O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)CO[P]([O-])([O-])=O)[C@@H](O)[C@H](O)[C@H](O[C@@H]2OCCCCCCCC)CO.[Na+].[Na+]
• InChI: 1S/C20H39O14P.2Na/c1-2-3-4-5-6-7-8-30-20-18(16(25)13(22)11(9-21)32-20)34-19-17(26)15(24)14(23)12(33-19)10-31-35(27,28)29;;/h11-26H,2-10H2,1H3,(H2,27,28,29);;/q;2*+1/p-2/t11-,12-,13-,14-,15+,16+,17+,18+,19-,20+;;/m1../s1
• InChIKey: LYZXIKNZJGBZJC-GDSMGQCOSA-L

Properties

• Boiling point: 772.6°C at 760 mmHg (Cal.)
• Flash point: 421°C (Cal.)