5-Amino-3,4-Dihydroxy-2-Isopropyl-7-Methyloctanoic Acid
[CAS# 115857-47-1]

Identification

• Name: 5-Amino-3,4-Dihydroxy-2-Isopropyl-7-Methyloctanoic Acid
• Synonyms: (2R,3R,4R,5S)-5-Amino-3,4-Dihydroxy-2-Isopropyl-7-Methyl-Octanoic Acid; (2R,3R,4R,5S)-5-Amino-3,4-Dihydroxy-2-Isopropyl-7-Methyloctanoic Acid; (2R,3R,4R,5S)-5-Amino-3,4-Dihydroxy-2-Isopropyl-7-Methyl-Caprylic Acid
• Molecular Formula: C₁₂H₂₅NO₄
• Molecular Weight: 247.33
• CAS Registry Number: 115857-47-1
• SMILES: [C@H](C(=O)O)([C@H]([C@@H]([C@H](CC(C)C)N)O)O)C(C)C
• InChI: 1S/C12H25NO4/c1-6(2)5-8(13)10(14)11(15)9(7(3)4)12(16)17/h6-11,14-15H,5,13H2,1-4H3,(H,16,17)/t8-,9+,10+,11+/m0/s1
• InChIKey: PWGMWPXTBHYKNG-LNFKQOIKSA-N

Properties

• Density: 1.113g/cm³ (Cal.)
• Boiling point: 444.28°C at 760 mmHg (Cal.)
• Flash point: 222.493°C (Cal.)