(4R,5S,6R,7R)-4-[(2S,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-5,6,7,8-Tetrahydroxy-2-Oxooctanoic Acid
[CAS# 147769-42-4]

Identification

• Name: (4R,5S,6R,7R)-4-[(2S,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-5,6,7,8-Tetrahydroxy-2-Oxooctanoic Acid
• Synonyms: (4R,5S,6R,7R)-4-[(2S,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-5,6,7,8-Tetrahydroxy-2-Oxo-Octanoic Acid; (4R,5S,6R,7R)-4-[[(2S,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-5,6,7,8-Tetrahydroxy-2-Oxooctanoic Acid; (4R,5S,6R,7R)-4-[(2S,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-5,6,7,8-Tetrahydroxy-2-Keto-Caprylic Acid
• Molecular Formula: C₁₄H₂₅NO₁₂
• Molecular Weight: 399.35
• CAS Registry Number: 147769-42-4
• SMILES: [C@H](O[C@@H]1[C@@H]([C@@H](O)[C@H](O)[C@H](O1)CO)N)([C@@H](O)[C@H](O)[C@H](O)CO)CC(C(=O)O)=O
• InChI: 1S/C14H25NO12/c15-8-12(23)11(22)7(3-17)27-14(8)26-6(1-4(18)13(24)25)10(21)9(20)5(19)2-16/h5-12,14,16-17,19-23H,1-3,15H2,(H,24,25)/t5-,6-,7-,8-,9-,10-,11-,12-,14+/m1/s1
• InChIKey: ZXZQAZCROAIHQO-NUDWRWSWSA-N

Properties

• Density: 1.696g/cm³ (Cal.)
• Boiling point: 801.366°C at 760 mmHg (Cal.)
• Flash point: 438.45°C (Cal.)