(Z)-[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoyl]oxymethoxyimino-oxido-pyrrolidin-1-ylazanium

C28H38F3N3O8 — CID 121282685

About (Z)-[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoyl]oxymethoxyimino-oxido-pyrrolidin-1-ylazanium

(Z)-[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoyl]oxymethoxyimino-oxido-pyrrolidin-1-ylazanium (PubChem CID 121282685) has the molecular formula C28H38F3N3O8 and a molecular weight of 601.62 g/mol. Its IUPAC name is (Z)-[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoyl]oxymethoxyimino-oxido-pyrrolidin-1-ylazanium.

Molecular Properties

• Compound Name: (Z)-[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoyl]oxymethoxyimino-oxido-pyrrolidin-1-ylazanium
• PubChem CID: 121282685
• Molecular Formula: C28H38F3N3O8
• Molecular Weight: 601.62 g/mol
• Exact Mass: 601.26
• IUPAC Name: (Z)-[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoyl]oxymethoxyimino-oxido-pyrrolidin-1-ylazanium
• SMILES: O=C(CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O)OCO/N=[N+](\[O-])N1CCCC1
• InChI: InChI=1S/C28H38F3N3O8/c29-28(30,31)20-8-7-9-22(16-20)40-18-21(35)12-13-24-23(25(36)17-26(24)37)10-3-1-2-4-11-27(38)41-19-42-32-34(39)33-14-5-6-15-33/h1,3,7-9,12-13,16,21,23-26,35-37H,2,4-6,10-11,14-15,17-19H2/b3-1-,13-12+,34-32-/t21-,23-,24-,25+,26-/m1/s1
• InChIKey: YRBFIJFPZSYLLF-JUNJQNMGSA-N
• XLogP: 3.88
• TPSA: 147.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.62
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoyl]oxymethoxyimino-oxido-pyrrolidin-1-ylazanium?

The IUPAC name of (Z)-[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoyl]oxymethoxyimino-oxido-pyrrolidin-1-ylazanium (CID 121282685) is (Z)-[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoyl]oxymethoxyimino-oxido-pyrrolidin-1-ylazanium.

What is the SMILES notation for (Z)-[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoyl]oxymethoxyimino-oxido-pyrrolidin-1-ylazanium?

The canonical SMILES for (Z)-[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoyl]oxymethoxyimino-oxido-pyrrolidin-1-ylazanium is O=C(CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O)OCO/N=[N+](\[O-])N1CCCC1.

What is the InChIKey of (Z)-[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoyl]oxymethoxyimino-oxido-pyrrolidin-1-ylazanium?

The InChIKey is YRBFIJFPZSYLLF-JUNJQNMGSA-N. The full InChI is InChI=1S/C28H38F3N3O8/c29-28(30,31)20-8-7-9-22(16-20)40-18-21(35)12-13-24-23(25(36)17-26(24)37)10-3-1-2-4-11-27(38)41-19-42-32-34(39)33-14-5-6-15-33/h1,3,7-9,12-13,16,21,23-26,35-37H,2,4-6,10-11,14-15,17-19H2/b3-1-,13-12+,34-32-/t21-,23-,24-,25+,26-/m1/s1.

What are the key properties of (Z)-[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoyl]oxymethoxyimino-oxido-pyrrolidin-1-ylazanium?

(Z)-[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoyl]oxymethoxyimino-oxido-pyrrolidin-1-ylazanium has a molecular weight of 601.62 g/mol, XLogP of 3.88, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoyl]oxymethoxyimino-oxido-pyrrolidin-1-ylazanium is sourced from PubChem (CID 121282685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).