[[4-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy-hydroxy-oxophosphanium

C25H34N4O9P+ — CID 122699080

About [[4-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy-hydroxy-oxophosphanium

[[4-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy-hydroxy-oxophosphanium (PubChem CID 122699080) has the molecular formula C25H34N4O9P+ and a molecular weight of 565.54 g/mol. Its IUPAC name is [[4-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy-hydroxy-oxophosphanium.

Molecular Properties

• Compound Name: [[4-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy-hydroxy-oxophosphanium
• PubChem CID: 122699080
• Molecular Formula: C25H34N4O9P+
• Molecular Weight: 565.54 g/mol
• Exact Mass: 565.21
• IUPAC Name: [[4-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy-hydroxy-oxophosphanium
• SMILES: CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)NCO[P+](=O)O)cc2)o1)[C@@H](CC)N(O)C=O
• InChI: InChI=1S/C25H33N4O9P/c1-3-5-6-7-19(20(4-2)29(34)16-30)24(32)26-14-27-25(33)22-13-12-21(38-22)17-8-10-18(11-9-17)23(31)28-15-37-39(35)36/h8-13,16,19-20,34H,3-7,14-15H2,1-2H3,(H3-,26,27,28,31,32,33,35,36)/p+1/t19-,20-/m1/s1
• InChIKey: OZXYJWYTDZQHKB-WOJBJXKFSA-O
• XLogP: 2.93
• TPSA: 187.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.54
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[4-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy-hydroxy-oxophosphanium?

The IUPAC name of [[4-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy-hydroxy-oxophosphanium (CID 122699080) is [[4-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy-hydroxy-oxophosphanium.

What is the SMILES notation for [[4-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy-hydroxy-oxophosphanium?

The canonical SMILES for [[4-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy-hydroxy-oxophosphanium is CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)NCO[P+](=O)O)cc2)o1)[C@@H](CC)N(O)C=O.

What is the InChIKey of [[4-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy-hydroxy-oxophosphanium?

The InChIKey is OZXYJWYTDZQHKB-WOJBJXKFSA-O. The full InChI is InChI=1S/C25H33N4O9P/c1-3-5-6-7-19(20(4-2)29(34)16-30)24(32)26-14-27-25(33)22-13-12-21(38-22)17-8-10-18(11-9-17)23(31)28-15-37-39(35)36/h8-13,16,19-20,34H,3-7,14-15H2,1-2H3,(H3-,26,27,28,31,32,33,35,36)/p+1/t19-,20-/m1/s1.

What are the key properties of [[4-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy-hydroxy-oxophosphanium?

[[4-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy-hydroxy-oxophosphanium has a molecular weight of 565.54 g/mol, XLogP of 2.93, 17 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [[4-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]methoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 122699080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).