N-Acetyl-S-(5-Hydroxy-2-Pentyltetrahydro-3-Furanyl)-L-Cysteine
[CAS# 146764-24-1]

Identification

• Name: N-Acetyl-S-(5-Hydroxy-2-Pentyltetrahydro-3-Furanyl)-L-Cysteine
• Synonyms: "N-acetyl-S-(tetrahydro-5-hydroxy-2-pentyl-3-furanyl)-L-cysteine-11,11,11-d3"; 4-hydroxy Nonenal Mercapturic Acid
• Molecular Formula: C₁₄H₂₅NO₅S
• Molecular Weight: 319.42
• CAS Registry Number: 146764-24-1
• SMILES: CCCCCC1C(CC(O1)O)SCC(C(=O)O)NC(=O)C
• InChI: 1S/C14H25NO5S/c1-3-4-5-6-11-12(7-13(17)20-11)21-8-10(14(18)19)15-9(2)16/h10-13,17H,3-8H2,1-2H3,(H,15,16)(H,18,19)/t10-,11?,12?,13?/m0/s1
• InChIKey: DEWNQQSQBYUUAE-DCNVRKPOSA-N

Properties

• Density: 1.228g/cm³ (Cal.)
• Boiling point: 576.255°C at 760 mmHg (Cal.)
• Flash point: 302.308°C (Cal.)
• Refractive index: 1.538 (Cal.)