8-[(1R,2R,3S)-2-(2-Carboxyethyl)-3-Hydroxy-5-Oxocyclopentyl]-6-Oxooctanoic Acid
[CAS# 133161-96-3]

Identification

• Name: 8-[(1R,2R,3S)-2-(2-Carboxyethyl)-3-Hydroxy-5-Oxocyclopentyl]-6-Oxooctanoic Acid
• Synonyms: "9?-hydroxy-11,15-dioxo-13,14-dihydro-2,3,4,5-tetranor-prostan-1,20-dioic acid"; 8-[(1R,2R,3S)-2-(2-Carboxyethyl)-3-hydroxy-5-oxocyclopentyl]-6-oxooctanoic acid; 8-[(1R,2R,3S)-2-(2-Carboxyethyl)-3-hydroxy-5-oxocyclopentyl]-6-oxooctansäure
• Molecular Formula: C₁₆H₂₄O₇
• Molecular Weight: 328.36
• CAS Registry Number: 133161-96-3
• SMILES: C1[C@@H]([C@@H]([C@H](C1=O)CCC(=O)CCCCC(=O)O)CCC(=O)O)O
• InChI: 1S/C16H24O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)18/h11-12,14,19H,1-9H2,(H,20,21)(H,22,23)/t11-,12-,14+/m1/s1
• InChIKey: VNJBSPJILLFAIC-BZPMIXESSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 622.2±50.0°C at 760 mmHg (Cal.)
• Flash point: 344.1±26.6°C (Cal.)
• Refractive index: 1.522 (Cal.)