Dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide)

C₅₀H₅₆Cl₂N₂O₁₂P₂Pd — CID 11434748

About Dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide)

Dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide) (PubChem CID 11434748) has the molecular formula C₅₀H₅₆Cl₂N₂O₁₂P₂Pd and a molecular weight of 1116.27 g/mol. Its IUPAC name is dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide).

Molecular Properties

• Compound Name: Dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide)
• PubChem CID: 11434748
• Molecular Formula: C₅₀H₅₆Cl₂N₂O₁₂P₂Pd
• Molecular Weight: 1116.27 g/mol
• Exact Mass: 1114.17
• IUPAC Name: dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide)
• SMILES: Cl[Pd]Cl.O=C(NCc1ccc(P(c2ccccc2)c2ccccc2)cc1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(NCc1ccc(P(c2ccccc2)c2ccccc2)cc1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
• InChI: InChI=1S/2C25H28NO6P.2ClH.Pd/c2*27-16-21(28)22(29)23(30)24(31)25(32)26-15-17-11-13-20(14-12-17)33(18-7-3-1-4-8-18)19-9-5-2-6-10-19;;;/h2*1-14,21-24,27-31H,15-16H2,(H,26,32);2*1H;/q;;;;+2/p-2/t2*21-,22-,23+,24-;;;/m11.../s1
• InChIKey: BWIUZSMOFCCNBO-MZUWEXGRSA-L
• XLogP: 0.37
• TPSA: 260.50 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1116.27
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide)?

The IUPAC name of Dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide) (CID 11434748) is dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide).

What is the SMILES notation for Dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide)?

The canonical SMILES for Dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide) is Cl[Pd]Cl.O=C(NCc1ccc(P(c2ccccc2)c2ccccc2)cc1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(NCc1ccc(P(c2ccccc2)c2ccccc2)cc1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.

What is the InChIKey of Dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide)?

The InChIKey is BWIUZSMOFCCNBO-MZUWEXGRSA-L. The full InChI is InChI=1S/2C25H28NO6P.2ClH.Pd/c2*27-16-21(28)22(29)23(30)24(31)25(32)26-15-17-11-13-20(14-12-17)33(18-7-3-1-4-8-18)19-9-5-2-6-10-19;;;/h2*1-14,21-24,27-31H,15-16H2,(H,26,32);2*1H;/q;;;;+2/p-2/t2*21-,22-,23+,24-;;;/m11.../s1.

What are the key properties of Dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide)?

Dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide) has a molecular weight of 1116.27 g/mol, XLogP of 0.37, 20 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for Dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide) is sourced from PubChem (CID 11434748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11434748 — identifiers, structure, computed properties (public domain)

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