(4S,5R,6R,7R,8S)-9-Acetyloxy-4,5,6,7,8-Pentahydroxy-2-Oxononanoic Acid
[CAS# 126265-01-8]

Identification

• Name: (4S,5R,6R,7R,8S)-9-Acetyloxy-4,5,6,7,8-Pentahydroxy-2-Oxononanoic Acid
• Synonyms: (4S,5R,6R,7R,8S)-9-Acetoxy-4,5,6,7,8-Pentahydroxy-2-Oxo-Nonanoic Acid; (4S,5R,6R,7R,8S)-9-Acetoxy-4,5,6,7,8-Pentahydroxy-2-Oxononanoic Acid; (4S,5R,6R,7R,8S)-9-Acetoxy-4,5,6,7,8-Pentahydroxy-2-Keto-Pelargonic Acid
• Molecular Formula: C₁₁H₁₈O₁₀
• Molecular Weight: 310.26
• CAS Registry Number: 126265-01-8
• SMILES: [C@@H](O)([C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COC(C)=O)CC(C(=O)O)=O
• InChI: 1S/C11H18O10/c1-4(12)21-3-7(15)9(17)10(18)8(16)5(13)2-6(14)11(19)20/h5,7-10,13,15-18H,2-3H2,1H3,(H,19,20)/t5-,7-,8+,9+,10+/m0/s1
• InChIKey: MCOPCJADXIWIBB-LSFGRMBMSA-N

Properties

• Density: 1.593g/cm³ (Cal.)
• Boiling point: 631.572°C at 760 mmHg (Cal.)
• Flash point: 240.039°C (Cal.)