bis((2S)-4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine

C20H28N2O8Pt — CID 6918258

About bis((2S)-4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine

bis((2S)-4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine (PubChem CID 6918258) has the molecular formula C20H28N2O8Pt and a molecular weight of 619.53 g/mol. Its IUPAC name is bis((2S)-4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine.

Molecular Properties

• Compound Name: bis((2S)-4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
• PubChem CID: 6918258
• Molecular Formula: C20H28N2O8Pt
• Molecular Weight: 619.53 g/mol
• Exact Mass: 619.15
• IUPAC Name: bis((2S)-4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
• SMILES: CC(=O)C1=C([O-])[C@H](C)OC1=O.CC(=O)C1=C([O-])[C@H](C)OC1=O.N[C@@H]1CCCC[C@H]1N.[Pt+2]
• InChI: InChI=1S/2C7H8O4.C6H14N2.Pt/c2*1-3(8)5-6(9)4(2)11-7(5)10;7-5-3-1-2-4-6(5)8;/h2*4,9H,1-2H3;5-6H,1-4,7-8H2;/q;;;+2/p-2/t2*4-;5-,6-;/m001./s1
• InChIKey: JSEUNYAKBKVVLC-PCJREDRESA-L
• XLogP: -1.52
• TPSA: 184.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	619.53
LogP ≤ 5	-1.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis((2S)-4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine?

The IUPAC name of bis((2S)-4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine (CID 6918258) is bis((2S)-4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine.

What is the SMILES notation for bis((2S)-4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine?

The canonical SMILES for bis((2S)-4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine is CC(=O)C1=C([O-])[C@H](C)OC1=O.CC(=O)C1=C([O-])[C@H](C)OC1=O.N[C@@H]1CCCC[C@H]1N.[Pt+2].

What is the InChIKey of bis((2S)-4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine?

The InChIKey is JSEUNYAKBKVVLC-PCJREDRESA-L. The full InChI is InChI=1S/2C7H8O4.C6H14N2.Pt/c2*1-3(8)5-6(9)4(2)11-7(5)10;7-5-3-1-2-4-6(5)8;/h2*4,9H,1-2H3;5-6H,1-4,7-8H2;/q;;;+2/p-2/t2*4-;5-,6-;/m001./s1.

What are the key properties of bis((2S)-4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine?

bis((2S)-4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine has a molecular weight of 619.53 g/mol, XLogP of -1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis((2S)-4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine is sourced from PubChem (CID 6918258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).