(2R,3S,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Sulfooxymethyl)Oxan-2-Yl]Oxy-2,4,5,6-Tetrahydroxyhexanoic Acid
[CAS# 110685-78-4]

Identification

• Name: (2R,3S,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Sulfooxymethyl)Oxan-2-Yl]Oxy-2,4,5,6-Tetrahydroxyhexanoic Acid
• Synonyms: (2R,3S,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Sulfooxymethyl)Tetrahydropyran-2-Yl]Oxy-2,4,5,6-Tetrahydroxy-Hexanoic Acid; (2R,3S,4R,5S)-3-[[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Sulfooxymethyl)-2-Tetrahydropyranyl]Oxy]-2,4,5,6-Tetrahydroxyhexanoic Acid; (2R,3S,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Sulfoxymethyl)Tetrahydropyran-2-Yl]Oxy-2,4,5,6-Tetrahydroxy-Hexanoic Acid
• Molecular Formula: C₁₄H₂₅NO₁₅S
• Molecular Weight: 479.41
• CAS Registry Number: 110685-78-4
• SMILES: [C@H]1([C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]([C@H](O)[C@H](CO)O)[C@@H](O)C(=O)O)CO[S](O)(=O)=O)O)O)NC(C)=O
• InChI: 1S/C14H25NO15S/c1-4(17)15-7-10(21)9(20)6(3-28-31(25,26)27)29-14(7)30-12(11(22)13(23)24)8(19)5(18)2-16/h5-12,14,16,18-22H,2-3H2,1H3,(H,15,17)(H,23,24)(H,25,26,27)/t5-,6+,7+,8+,9+,10+,11+,12-,14+/m0/s1
• InChIKey: SIGLKDHQMISGEY-YUDSPMMPSA-N

Properties

• Density: 1.813g/cm³ (Cal.)