3-[[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6S)-3-Acetyloxy-4,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy-5,6-Dihydroxy-2-Methyloxan-3-Yl]Amino]-3-Oxopropanoic Acid
[CAS# 151299-42-2]

Identification

• Name: 3-[[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6S)-3-Acetyloxy-4,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy-5,6-Dihydroxy-2-Methyloxan-3-Yl]Amino]-3-Oxopropanoic Acid
• Synonyms: 3-[[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6S)-3-Acetoxy-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-5,6-Dihydroxy-2-Methyl-Tetrahydropyran-3-Yl]Amino]-3-Oxo-Propanoic Acid; 3-[[(2R,3R,4S,5R,6R)-4-[[(2S,3R,4R,5R,6S)-3-Acetoxy-4,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-5,6-Dihydroxy-2-Methyl-3-Tetrahydropyranyl]Amino]-3-Oxopropanoic Acid; 3-[[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6S)-3-Acetoxy-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-5,6-Dihydroxy-2-Methyl-Tetrahydropyran-3-Yl]Amino]-3-Keto-Propionic Acid
• Molecular Formula: C₁₇H₂₇NO₁₂
• Molecular Weight: 437.40
• CAS Registry Number: 151299-42-2
• SMILES: [C@H]2(O)[C@H](O)[C@@H](O[C@H]1[C@H](OC(=O)C)[C@H](O)[C@@H](O)[C@@H](O1)C)[C@@H]([C@H](O2)C)NC(=O)CC(=O)O
• InChI: 1S/C17H27NO12/c1-5-10(18-8(20)4-9(21)22)14(13(25)16(26)27-5)30-17-15(29-7(3)19)12(24)11(23)6(2)28-17/h5-6,10-17,23-26H,4H2,1-3H3,(H,18,20)(H,21,22)/t5-,6+,10-,11+,12-,13-,14+,15-,16-,17+/m1/s1
• InChIKey: YEXKHDSGIBZZPH-FSIRCQHCSA-N

Properties

• Density: 1.526g/cm³ (Cal.)
• Boiling point: 723.447°C at 760 mmHg (Cal.)
• Flash point: 391.327°C (Cal.)