5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-[10-[chloro(trioctyl)-λ5-phosphanyl]decyl]azanium chloride

C59H119Cl2N6O8P — CID 153461609

About 5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-[10-[chloro(trioctyl)-λ5-phosphanyl]decyl]azanium chloride

5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-[10-[chloro(trioctyl)-λ5-phosphanyl]decyl]azanium chloride (PubChem CID 153461609) has the molecular formula C59H119Cl2N6O8P and a molecular weight of 1142.51 g/mol. Its IUPAC name is 5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-[10-[chloro(trioctyl)-λ5-phosphanyl]decyl]azanium chloride.

Molecular Properties

• Compound Name: 5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-[10-[chloro(trioctyl)-λ5-phosphanyl]decyl]azanium chloride
• PubChem CID: 153461609
• Molecular Formula: C59H119Cl2N6O8P
• Molecular Weight: 1142.51 g/mol
• Exact Mass: 1140.82
• IUPAC Name: 5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-[10-[chloro(trioctyl)-λ5-phosphanyl]decyl]azanium chloride
• SMILES: CCCCCCCCP(Cl)(CCCCCCCC)(CCCCCCCC)CCCCCCCCCC[NH2+]CCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(C)=O.[Cl-]
• InChI: InChI=1S/C59H118ClN6O8P.ClH/c1-5-8-11-14-22-36-51-75(60,52-37-23-15-12-9-6-2,53-38-24-16-13-10-7-3)54-39-25-20-18-17-19-21-29-44-61-45-30-26-34-49-65(73)58(70)42-40-57(69)63-47-32-28-35-50-66(74)59(71)43-41-56(68)62-46-31-27-33-48-64(72)55(4)67;/h61,72-74H,5-54H2,1-4H3,(H,62,68)(H,63,69);1H
• InChIKey: VWNYZZVWIRVLLF-UHFFFAOYSA-N
• XLogP: 10.44
• TPSA: 196.43 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 56
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1142.51
LogP ≤ 5	10.44
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': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-[10-[chloro(trioctyl)-λ5-phosphanyl]decyl]azanium chloride?

The IUPAC name of 5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-[10-[chloro(trioctyl)-λ5-phosphanyl]decyl]azanium chloride (CID 153461609) is 5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-[10-[chloro(trioctyl)-λ5-phosphanyl]decyl]azanium chloride.

What is the SMILES notation for 5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-[10-[chloro(trioctyl)-λ5-phosphanyl]decyl]azanium chloride?

The canonical SMILES for 5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-[10-[chloro(trioctyl)-λ5-phosphanyl]decyl]azanium chloride is CCCCCCCCP(Cl)(CCCCCCCC)(CCCCCCCC)CCCCCCCCCC[NH2+]CCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(C)=O.[Cl-].

What is the InChIKey of 5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-[10-[chloro(trioctyl)-λ5-phosphanyl]decyl]azanium chloride?

The InChIKey is VWNYZZVWIRVLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H118ClN6O8P.ClH/c1-5-8-11-14-22-36-51-75(60,52-37-23-15-12-9-6-2,53-38-24-16-13-10-7-3)54-39-25-20-18-17-19-21-29-44-61-45-30-26-34-49-65(73)58(70)42-40-57(69)63-47-32-28-35-50-66(74)59(71)43-41-56(68)62-46-31-27-33-48-64(72)55(4)67;/h61,72-74H,5-54H2,1-4H3,(H,62,68)(H,63,69);1H.

What are the key properties of 5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-[10-[chloro(trioctyl)-λ5-phosphanyl]decyl]azanium chloride?

5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-[10-[chloro(trioctyl)-λ5-phosphanyl]decyl]azanium chloride has a molecular weight of 1142.51 g/mol, XLogP of 10.44, 56 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl-[10-[chloro(trioctyl)-λ5-phosphanyl]decyl]azanium chloride is sourced from PubChem (CID 153461609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).