(2S,3R)-2-Amino-3-[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxybutanoic Acid
[CAS# 145435-20-7]

Identification

• Name: (2S,3R)-2-Amino-3-[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxybutanoic Acid
• Synonyms: (2S,3R)-2-Amino-3-[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-Butanoic Acid; (2S,3R)-2-Amino-3-[[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]Butanoic Acid; (2S,3R)-2-Amino-3-[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-Methylol-3-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-Butyric Acid
• Molecular Formula: C₁₆H₂₉NO₁₃
• Molecular Weight: 443.40
• CAS Registry Number: 145435-20-7
• SMILES: [C@H](C(=O)O)(N)[C@@H](C)O[C@@H]2[C@@H](O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)[C@@H](O)[C@H](O)[C@H](O2)CO
• InChI: 1S/C16H29NO13/c1-4(7(17)14(25)26)27-16-13(11(23)9(21)6(3-19)29-16)30-15-12(24)10(22)8(20)5(2-18)28-15/h4-13,15-16,18-24H,2-3,17H2,1H3,(H,25,26)/t4-,5-,6-,7+,8-,9-,10+,11+,12+,13+,15-,16+/m1/s1
• InChIKey: CWOMVMJEUUEVOR-YUFGCWDRSA-N

Properties

• Density: 1.667g/cm³ (Cal.)
• Boiling point: 788.51°C at 760 mmHg (Cal.)
• Flash point: 430.676°C (Cal.)