4-[[(2R)-2-Hydroxy-3,3-Dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxybutanoyl]Amino]Butanoic Acid
[CAS# 106083-70-9]

Identification

• Name: 4-[[(2R)-2-Hydroxy-3,3-Dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxybutanoyl]Amino]Butanoic Acid
• Synonyms: 4-[[(2R)-2-Hydroxy-3,3-Dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Butanoyl]Amino]Butanoic Acid; 4-[[(2R)-2-Hydroxy-3,3-Dimethyl-1-Oxo-4-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Butyl]Amino]Butanoic Acid; 4-[[(2R)-2-Hydroxy-3,3-Dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Butanoyl]Amino]Butyric Acid
• Molecular Formula: C₁₆H₂₉NO₁₀
• Molecular Weight: 395.41
• CAS Registry Number: 106083-70-9
• SMILES: [C@H](C(NCCCC(=O)O)=O)(C(CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)(C)C)O
• InChI: 1S/C16H29NO10/c1-16(2,13(24)14(25)17-5-3-4-9(19)20)7-26-15-12(23)11(22)10(21)8(6-18)27-15/h8,10-13,15,18,21-24H,3-7H2,1-2H3,(H,17,25)(H,19,20)/t8-,10-,11+,12-,13+,15-/m1/s1
• InChIKey: FFLBVZWAGYJUDM-ZCBWMVENSA-N

Properties

• Density: 1.434g/cm³ (Cal.)
• Boiling point: 771.864°C at 760 mmHg (Cal.)
• Flash point: 420.608°C (Cal.)