(5S,6R)-6-Acetamido-5-Hydroxy-1,2,5,6-Tetrahydropyridine-3-Carboxylic Acid
[CAS# 142779-94-0]

Identification

• Name: (5S,6R)-6-Acetamido-5-Hydroxy-1,2,5,6-Tetrahydropyridine-3-Carboxylic Acid
• Synonyms: 3,4-Didehydro-4-Deoxysiastatin B; 3-Pyridinecarboxylic Acid, 6-(Acetylamino)-1,2,5,6-Tetrahydro-5-Hydroxy-, (5S-Trans)-; Dhdo-Siastatin B
• Molecular Formula: C₈H₁₂N₂O₄
• Molecular Weight: 200.19
• CAS Registry Number: 142779-94-0
• SMILES: [C@@H]1(NCC(=C[C@@H]1O)C(=O)O)NC(=O)C
• InChI: 1S/C8H12N2O4/c1-4(11)10-7-6(12)2-5(3-9-7)8(13)14/h2,6-7,9,12H,3H2,1H3,(H,10,11)(H,13,14)/t6-,7+/m0/s1
• InChIKey: FEWAMSIVMNWVLK-NKWVEPMBSA-N

Properties

• Density: 1.413g/cm³ (Cal.)
• Boiling point: 575.823°C at 760 mmHg (Cal.)
• Flash point: 302.047°C (Cal.)