(2S,3R,4R,5R,6S)-3-Acetyloxy-5-Hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-6-[(2R,3S,4R,5R,6S)-2,3,5-Trihydroxy-6-Methyloxan-4-Yl]Oxyoxane-2-Carboxylic Acid
[CAS# 154821-14-4]

Identification

• Name: (2S,3R,4R,5R,6S)-3-Acetyloxy-5-Hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-6-[(2R,3S,4R,5R,6S)-2,3,5-Trihydroxy-6-Methyloxan-4-Yl]Oxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3R,4R,5R,6S)-3-Acetoxy-5-Hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-6-[(2R,3S,4R,5R,6S)-2,3,5-Trihydroxy-6-Methyl-Tetrahydropyran-4-Yl]Oxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3R,4R,5R,6S)-3-Acetoxy-5-Hydroxy-4-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-6-[[(2R,3S,4R,5R,6S)-2,3,5-Trihydroxy-6-Methyl-4-Tetrahydropyranyl]Oxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3R,4R,5R,6S)-3-Acetoxy-5-Hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-6-[(2R,3S,4R,5R,6S)-2,3,5-Trihydroxy-6-Methyl-Tetrahydropyran-4-Yl]Oxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₀H₃₂O₁₇
• Molecular Weight: 544.46
• CAS Registry Number: 154821-14-4
• SMILES: [C@H]1([C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]2[C@@H](OC(=O)C)[C@H](O[C@@H]([C@@H]2O)O[C@@H]3[C@H](O)[C@@H](O[C@H]([C@H]3O)O)C)C(O)=O)O)O)O
• InChI: 1S/C20H32O17/c1-4-7(23)13(11(27)18(31)32-4)35-20-12(28)14(15(33-5(2)22)16(37-20)17(29)30)36-19-10(26)9(25)8(24)6(3-21)34-19/h4,6-16,18-21,23-28,31H,3H2,1-2H3,(H,29,30)/t4-,6+,7+,8-,9-,10+,11-,12+,13+,14+,15+,16-,18+,19+,20-/m0/s1
• InChIKey: JHSOLQFSSMFPAK-ATEWNJAPSA-N

Properties

• Density: 1.723g/cm³ (Cal.)
• Boiling point: 854.411°C at 760 mmHg (Cal.)
• Flash point: 290.651°C (Cal.)