(2S,3R,4R)-2-Amino-3,4-Dihydroxy-2-(Hydroxymethyl)-14-Oxoicosanoic Acid
[CAS# 37817-99-5]

Identification

• Name: (2S,3R,4R)-2-Amino-3,4-Dihydroxy-2-(Hydroxymethyl)-14-Oxoicosanoic Acid
• Synonyms: (2S,3R,4R)-2-Amino-3,4-Dihydroxy-2-(Hydroxymethyl)-14-Oxo-Icosanoic Acid; (2S,3R,4R)-2-Amino-3,4-Dihydroxy-14-Keto-2-Methylol-Arachidic Acid; 2-Amino-3,4-Dihydroxy-2-Hydroxymethyl-14-Oxoeicosanoic Acid
• Molecular Formula: C₂₁H₄₁NO₆
• Molecular Weight: 403.56
• CAS Registry Number: 37817-99-5
• SMILES: [C@@](C(=O)O)([C@H]([C@@H](CCCCCCCCCC(CCCCCC)=O)O)O)(CO)N
• InChI: 1S/C21H41NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h18-19,23,25-26H,2-16,22H2,1H3,(H,27,28)/t18-,19+,21+/m1/s1
• InChIKey: YCSMVIFHUJOGKU-DYXWJJEUSA-N

Properties

• Density: 1.109g/cm³ (Cal.)
• Boiling point: 625.176°C at 760 mmHg (Cal.)
• Flash point: 331.895°C (Cal.)