(2S)-2,6-Diamino-5-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2R,3R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxyhexanoic Acid
[CAS# 32448-35-4]

Identification

• Name: (2S)-2,6-Diamino-5-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2R,3R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxyhexanoic Acid
• Synonyms: (2S)-2,6-Diamino-5-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2R,3R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-Hexanoic Acid; (2S)-2,6-Diamino-5-[[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[[(2R,3R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]Hexanoic Acid; (2S)-2,6-Diamino-5-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-Methylol-3-[(2R,3R,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-Hexanoic Acid
• Molecular Formula: C₁₈H₃₄N₂O₁₃
• Molecular Weight: 486.47
• CAS Registry Number: 32448-35-4
• SMILES: [C@@H]1([C@@H](O[C@@H]([C@@H]([C@@H]1O)O)CO)OC(CC[C@@H](C(=O)O)N)CN)O[C@@H]2[C@@H](C([C@@H]([C@H](O2)CO)O)O)O
• InChI: 1S/C18H34N2O13/c19-3-6(1-2-7(20)16(28)29)30-18-15(13(26)11(24)9(5-22)32-18)33-17-14(27)12(25)10(23)8(4-21)31-17/h6-15,17-18,21-27H,1-5,19-20H2,(H,28,29)/t6?,7-,8+,9+,10+,11-,12?,13-,14+,15+,17+,18+/m0/s1
• InChIKey: UTIRJVJBKWSIOX-SRMFCGEKSA-N

Properties

• Density: 1.613g/cm³ (Cal.)
• Boiling point: 842.607°C at 760 mmHg (Cal.)
• Flash point: 463.392°C (Cal.)