5-Nitroprostaglandin I1
[CAS# 93984-39-5]

Identification

• Name: 5-Nitroprostaglandin I1
• Synonyms: 5-[(3Ar,4R,5R,6As)-5-Hydroxy-4-[(Z,3R)-3-Hydroxyoct-1-Enyl]-3,3A,4,5,6,6A-Hexahydro-2H-Cyclopenta[D]Furan-2-Yl]-5-Nitro-Pentanoic Acid; 5-[(3Ar,4R,5R,6As)-5-Hydroxy-4-[(Z,3R)-3-Hydroxyoct-1-Enyl]-3,3A,4,5,6,6A-Hexahydro-2H-Cyclopenta[D]Furan-2-Yl]-5-Nitro-
• Molecular Formula: C₂₀H₃₃NO₇
• Molecular Weight: 399.48
• CAS Registry Number: 93984-39-5
• SMILES: [C@@H]12[C@@H](OC(C1)C([N+]([O-])=O)CCCC(=O)O)C[C@@H](O)[C@@H]2\C=C/[C@H](O)CCCCC
• InChI: 1S/C20H33NO7/c1-2-3-4-6-13(22)9-10-14-15-11-19(28-18(15)12-17(14)23)16(21(26)27)7-5-8-20(24)25/h9-10,13-19,22-23H,2-8,11-12H2,1H3,(H,24,25)/b10-9-/t13-,14-,15-,16?,17-,18+,19?/m1/s1
• InChIKey: KLVAVVAHUOWKAS-OFCQYHLNSA-N

Properties

• Density: 1.249g/cm³ (Cal.)
• Boiling point: 591.28°C at 760 mmHg (Cal.)
• Flash point: 311.395°C (Cal.)