Rhamnosyl-rhamnosyl-3-deoxymannooctulosonic acid
[CAS# 111070-81-6]

Identification

• Name: Rhamnosyl-rhamnosyl-3-deoxymannooctulosonic acid
• Synonyms: (4R,5R,6R,7R)-8-[(2R,3R,4R,5S,6S)-3,5-Dihydroxy-6-Methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-4,5,6,7-Tetrahydroxy-2-Oxo-Octanoic Acid; (4R,5R,6R,7R)-8-[[(2R,3R,4R,5S,6S)-3,5-Dihydroxy-6-Methyl-4-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-4,5,6,7-Tetrahydroxy-2-Oxooctanoic Acid; (4R,5R,6R,7R)-8-[(2R,3R,4R,5S,6S)-3,5-Dihydroxy-6-Methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-4,5,6,7-Tetrahydroxy-2-Keto-Caprylic Acid
• Molecular Formula: C₂₀H₃₄O₁₆
• Molecular Weight: 530.48
• CAS Registry Number: 111070-81-6
• SMILES: [C@H]1(O[C@H]([C@@H]([C@@H]([C@H]1O)O[C@@H]2O[C@H]([C@@H]([C@H]([C@H]2O)O)O)C)O)OC[C@H]([C@H]([C@@H]([C@@H](CC(C(=O)O)=O)O)O)O)O)C
• InChI: 1S/C20H34O16/c1-5-10(24)14(28)15(29)20(35-5)36-17-11(25)6(2)34-19(16(17)30)33-4-9(23)13(27)12(26)7(21)3-8(22)18(31)32/h5-7,9-17,19-21,23-30H,3-4H2,1-2H3,(H,31,32)/t5-,6-,7+,9+,10-,11-,12+,13+,14+,15+,16+,17+,19+,20-/m0/s1
• InChIKey: HARGVJONLXPVEX-PILVOEBPSA-N

Properties

• Density: 1.661g/cm³ (Cal.)
• Boiling point: 901.024°C at 760 mmHg (Cal.)
• Flash point: 305.64°C (Cal.)