bis((2S)-2-amino-2-phenylacetic acid);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(3+)

C60H50N2O4P2Ru+3 — CID 53373296

About bis((2S)-2-amino-2-phenylacetic acid);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(3+)

bis((2S)-2-amino-2-phenylacetic acid);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(3+) (PubChem CID 53373296) has the molecular formula C60H50N2O4P2Ru+3 and a molecular weight of 1026.09 g/mol. Its IUPAC name is bis((2S)-2-amino-2-phenylacetic acid);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(3+).

Molecular Properties

• Compound Name: bis((2S)-2-amino-2-phenylacetic acid);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(3+)
• PubChem CID: 53373296
• Molecular Formula: C60H50N2O4P2Ru+3
• Molecular Weight: 1026.09 g/mol
• Exact Mass: 1026.23
• IUPAC Name: bis((2S)-2-amino-2-phenylacetic acid);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(3+)
• SMILES: N[C@H](C(=O)O)c1ccccc1.N[C@H](C(=O)O)c1ccccc1.[Ru+3].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
• InChI: InChI=1S/C44H32P2.2C8H9NO2.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;2*9-7(8(10)11)6-4-2-1-3-5-6;/h1-32H;2*1-5,7H,9H2,(H,10,11);/q;;;+3/t;2*7-;/m.00./s1
• InChIKey: WGCZQNSJVJWWIZ-XRNUYEFPSA-N
• XLogP: 10.72
• TPSA: 126.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1026.09
LogP ≤ 5	10.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis((2S)-2-amino-2-phenylacetic acid);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(3+)?

The IUPAC name of bis((2S)-2-amino-2-phenylacetic acid);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(3+) (CID 53373296) is bis((2S)-2-amino-2-phenylacetic acid);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(3+).

What is the SMILES notation for bis((2S)-2-amino-2-phenylacetic acid);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(3+)?

The canonical SMILES for bis((2S)-2-amino-2-phenylacetic acid);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(3+) is N[C@H](C(=O)O)c1ccccc1.N[C@H](C(=O)O)c1ccccc1.[Ru+3].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1.

What is the InChIKey of bis((2S)-2-amino-2-phenylacetic acid);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(3+)?

The InChIKey is WGCZQNSJVJWWIZ-XRNUYEFPSA-N. The full InChI is InChI=1S/C44H32P2.2C8H9NO2.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;2*9-7(8(10)11)6-4-2-1-3-5-6;/h1-32H;2*1-5,7H,9H2,(H,10,11);/q;;;+3/t;2*7-;/m.00./s1.

What are the key properties of bis((2S)-2-amino-2-phenylacetic acid);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(3+)?

bis((2S)-2-amino-2-phenylacetic acid);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(3+) has a molecular weight of 1026.09 g/mol, XLogP of 10.72, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis((2S)-2-amino-2-phenylacetic acid);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(3+) is sourced from PubChem (CID 53373296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).