(Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(3-chlorophenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]-N-[2-(dihydroxyamino)oxypropyl]hept-5-enamide

C26H39ClN2O7 — CID 89068965

About (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(3-chlorophenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]-N-[2-(dihydroxyamino)oxypropyl]hept-5-enamide

(Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(3-chlorophenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]-N-[2-(dihydroxyamino)oxypropyl]hept-5-enamide (PubChem CID 89068965) has the molecular formula C26H39ClN2O7 and a molecular weight of 527.06 g/mol. Its IUPAC name is (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(3-chlorophenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]-N-[2-(dihydroxyamino)oxypropyl]hept-5-enamide.

Molecular Properties

• Compound Name: (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(3-chlorophenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]-N-[2-(dihydroxyamino)oxypropyl]hept-5-enamide
• PubChem CID: 89068965
• Molecular Formula: C26H39ClN2O7
• Molecular Weight: 527.06 g/mol
• Exact Mass: 526.24
• IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(3-chlorophenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]-N-[2-(dihydroxyamino)oxypropyl]hept-5-enamide
• SMILES: CC(CNC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2cccc(Cl)c2)[C@H](O)C[C@@H]1O)ON(O)O
• InChI: InChI=1S/C26H39ClN2O7/c1-18(36-29(34)35)17-28-26(33)10-5-3-2-4-9-22-23(25(32)16-24(22)31)14-13-21(30)12-11-19-7-6-8-20(27)15-19/h2,4,6-8,13-15,18,21-25,30-32,34-35H,3,5,9-12,16-17H2,1H3,(H,28,33)/b4-2-,14-13+/t18?,21-,22+,23+,24-,25+/m0/s1
• InChIKey: SPGDRDPLEHBEPU-USJRSVKOSA-N
• XLogP: 3.18
• TPSA: 142.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.06
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(3-chlorophenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]-N-[2-(dihydroxyamino)oxypropyl]hept-5-enamide?

The IUPAC name of (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(3-chlorophenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]-N-[2-(dihydroxyamino)oxypropyl]hept-5-enamide (CID 89068965) is (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(3-chlorophenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]-N-[2-(dihydroxyamino)oxypropyl]hept-5-enamide.

What is the SMILES notation for (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(3-chlorophenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]-N-[2-(dihydroxyamino)oxypropyl]hept-5-enamide?

The canonical SMILES for (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(3-chlorophenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]-N-[2-(dihydroxyamino)oxypropyl]hept-5-enamide is CC(CNC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2cccc(Cl)c2)[C@H](O)C[C@@H]1O)ON(O)O.

What is the InChIKey of (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(3-chlorophenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]-N-[2-(dihydroxyamino)oxypropyl]hept-5-enamide?

The InChIKey is SPGDRDPLEHBEPU-USJRSVKOSA-N. The full InChI is InChI=1S/C26H39ClN2O7/c1-18(36-29(34)35)17-28-26(33)10-5-3-2-4-9-22-23(25(32)16-24(22)31)14-13-21(30)12-11-19-7-6-8-20(27)15-19/h2,4,6-8,13-15,18,21-25,30-32,34-35H,3,5,9-12,16-17H2,1H3,(H,28,33)/b4-2-,14-13+/t18?,21-,22+,23+,24-,25+/m0/s1.

What are the key properties of (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(3-chlorophenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]-N-[2-(dihydroxyamino)oxypropyl]hept-5-enamide?

(Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(3-chlorophenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]-N-[2-(dihydroxyamino)oxypropyl]hept-5-enamide has a molecular weight of 527.06 g/mol, XLogP of 3.18, 15 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(3-chlorophenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]-N-[2-(dihydroxyamino)oxypropyl]hept-5-enamide is sourced from PubChem (CID 89068965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).