(4S,5R,6R,7S,8R)-7,9-Diacetyloxy-4,6-Dihydroxy-5-[(2-Hydroxyacetyl)Amino]-8-Methoxy-2-Oxononanoic Acid
[CAS# 128885-13-2]

Identification

• Name: (4S,5R,6R,7S,8R)-7,9-Diacetyloxy-4,6-Dihydroxy-5-[(2-Hydroxyacetyl)Amino]-8-Methoxy-2-Oxononanoic Acid
• Synonyms: (4S,5R,6R,7S,8R)-7,9-Diacetoxy-4,6-Dihydroxy-5-[(2-Hydroxyacetyl)Amino]-8-Methoxy-2-Oxo-Nonanoic Acid; (4S,5R,6R,7S,8R)-7,9-Diacetoxy-4,6-Dihydroxy-5-[(2-Hydroxy-1-Oxoethyl)Amino]-8-Methoxy-2-Oxononanoic Acid; (4S,5R,6R,7S,8R)-7,9-Diacetoxy-5-(Glycoloylamino)-4,6-Dihydroxy-2-Keto-8-Methoxy-Pelargonic Acid
• Molecular Formula: C₁₆H₂₅NO₁₂
• Molecular Weight: 423.37
• CAS Registry Number: 128885-13-2
• SMILES: [C@@H](COC(C)=O)([C@@H](OC(C)=O)[C@@H]([C@@H]([C@H](CC(C(O)=O)=O)O)NC(CO)=O)O)OC
• InChI: 1S/C16H25NO12/c1-7(19)28-6-11(27-3)15(29-8(2)20)14(24)13(17-12(23)5-18)9(21)4-10(22)16(25)26/h9,11,13-15,18,21,24H,4-6H2,1-3H3,(H,17,23)(H,25,26)/t9-,11+,13+,14+,15+/m0/s1
• InChIKey: MZSWGZQPIQDMAD-RDXHHOOHSA-N

Properties

• Density: 1.42g/cm³ (Cal.)
• Boiling point: 696.494°C at 760 mmHg (Cal.)
• Flash point: 375.026°C (Cal.)