(2S,3R,4R,6E,12E,14R)-2-Amino-3,4,14-Trihydroxy-2-(Hydroxymethyl)Icosa-6,12-Dienoic Acid
[CAS# 128440-98-2]

Identification

• Name: (2S,3R,4R,6E,12E,14R)-2-Amino-3,4,14-Trihydroxy-2-(Hydroxymethyl)Icosa-6,12-Dienoic Acid
• Synonyms: (2S,3R,4R,6E,12E,14R)-2-Amino-3,4,14-Trihydroxy-2-Methylol-Icosa-6,12-Dienoic Acid; 2-Amino-3,4,14-Trihydroxy-2-Hydroxymethyleicosa-6,12-Dienoic Acid; 6-Eicosenoic Acid, 2-Amino-3,4-Dihydroxy-2-(Hydroxymethyl)-14-Oxo-
• Molecular Formula: C₂₁H₃₉NO₆
• Molecular Weight: 401.54
• CAS Registry Number: 128440-98-2
• SMILES: [C@@]([C@H]([C@H](O)C/C=C/CCCC/C=C/[C@H](O)CCCCCC)O)(C(=O)O)(N)CO
• InChI: 1S/C21H39NO6/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/h9,11-12,14,17-19,23-26H,2-8,10,13,15-16,22H2,1H3,(H,27,28)/b12-9+,14-11+/t17-,18-,19+,21+/m1/s1
• InChIKey: SPUGTKTYKGAGRY-IOUBFYGWSA-N

Properties

• Density: 1.141g/cm³ (Cal.)
• Boiling point: 631.774°C at 760 mmHg (Cal.)
• Flash point: 335.885°C (Cal.)