hydroxy-oxo-[1-oxo-1-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxyamino)butan-2-yl]phosphanium

C24H41NO4P+ — CID 173216626

About hydroxy-oxo-[1-oxo-1-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxyamino)butan-2-yl]phosphanium

hydroxy-oxo-[1-oxo-1-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxyamino)butan-2-yl]phosphanium (PubChem CID 173216626) has the molecular formula C24H41NO4P+ and a molecular weight of 438.57 g/mol. Its IUPAC name is hydroxy-oxo-[1-oxo-1-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxyamino)butan-2-yl]phosphanium.

Molecular Properties

• Compound Name: hydroxy-oxo-[1-oxo-1-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxyamino)butan-2-yl]phosphanium
• PubChem CID: 173216626
• Molecular Formula: C24H41NO4P+
• Molecular Weight: 438.57 g/mol
• Exact Mass: 438.28
• IUPAC Name: hydroxy-oxo-[1-oxo-1-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxyamino)butan-2-yl]phosphanium
• SMILES: CCC(C(=O)NOCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)[P+](=O)O
• InChI: InChI=1S/C24H40NO4P/c1-7-23(30(27)28)24(26)25-29-18-17-22(6)16-10-15-21(5)14-9-13-20(4)12-8-11-19(2)3/h11,13,15,17,23H,7-10,12,14,16,18H2,1-6H3,(H-,25,26,27,28)/p+1
• InChIKey: XEBHZVFWJXWVDP-UHFFFAOYSA-O
• XLogP: 6.69
• TPSA: 75.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 15
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.57
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-[1-oxo-1-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxyamino)butan-2-yl]phosphanium?

The IUPAC name of hydroxy-oxo-[1-oxo-1-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxyamino)butan-2-yl]phosphanium (CID 173216626) is hydroxy-oxo-[1-oxo-1-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxyamino)butan-2-yl]phosphanium.

What is the SMILES notation for hydroxy-oxo-[1-oxo-1-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxyamino)butan-2-yl]phosphanium?

The canonical SMILES for hydroxy-oxo-[1-oxo-1-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxyamino)butan-2-yl]phosphanium is CCC(C(=O)NOCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)[P+](=O)O.

What is the InChIKey of hydroxy-oxo-[1-oxo-1-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxyamino)butan-2-yl]phosphanium?

The InChIKey is XEBHZVFWJXWVDP-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H40NO4P/c1-7-23(30(27)28)24(26)25-29-18-17-22(6)16-10-15-21(5)14-9-13-20(4)12-8-11-19(2)3/h11,13,15,17,23H,7-10,12,14,16,18H2,1-6H3,(H-,25,26,27,28)/p+1.

What are the key properties of hydroxy-oxo-[1-oxo-1-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxyamino)butan-2-yl]phosphanium?

hydroxy-oxo-[1-oxo-1-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxyamino)butan-2-yl]phosphanium has a molecular weight of 438.57 g/mol, XLogP of 6.69, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for hydroxy-oxo-[1-oxo-1-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxyamino)butan-2-yl]phosphanium is sourced from PubChem (CID 173216626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).