bis(4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one);(2-azanidylcyclohexyl)azanide;platinum(2+)

C20H28N2O8Pt — CID 162275686

IUPACbis(4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one);(2-azanidylcyclohexyl)azanide;platinum(2+)
SMILESCC(=O)C1=C(O)C(C)OC1=O.CC(=O)C1=C(O)C(C)OC1=O.[NH-]C1CCCCC1[NH-].[Pt+2]
InChIInChI=1S/2C7H8O4.C6H12N2.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;5-8H,1-4H2;/q;;-2;+2
InChIKeyPAGASHGEIFLBNV-UHFFFAOYSA-N
MW619.53 g/mol
LogP3.07
Rot. Bonds2

About bis(4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one);(2-azanidylcyclohexyl)azanide;platinum(2+)

bis(4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one);(2-azanidylcyclohexyl)azanide;platinum(2+) (PubChem CID 162275686) has the molecular formula C20H28N2O8Pt and a molecular weight of 619.53 g/mol. Its IUPAC name is bis(4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one);(2-azanidylcyclohexyl)azanide;platinum(2+).

Molecular Properties

Compound Namebis(4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one);(2-azanidylcyclohexyl)azanide;platinum(2+)
PubChem CID162275686
Molecular FormulaC20H28N2O8Pt
Molecular Weight619.53 g/mol
Exact Mass619.15
IUPAC Namebis(4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one);(2-azanidylcyclohexyl)azanide;platinum(2+)
SMILESCC(=O)C1=C(O)C(C)OC1=O.CC(=O)C1=C(O)C(C)OC1=O.[NH-]C1CCCCC1[NH-].[Pt+2]
InChIInChI=1S/2C7H8O4.C6H12N2.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;5-8H,1-4H2;/q;;-2;+2
InChIKeyPAGASHGEIFLBNV-UHFFFAOYSA-N
XLogP3.07
TPSA174.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.53
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one);(2-azanidylcyclohexyl)azanide;platinum(2+)?
The IUPAC name of bis(4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one);(2-azanidylcyclohexyl)azanide;platinum(2+) (CID 162275686) is bis(4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one);(2-azanidylcyclohexyl)azanide;platinum(2+).
What is the SMILES notation for bis(4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one);(2-azanidylcyclohexyl)azanide;platinum(2+)?
The canonical SMILES for bis(4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one);(2-azanidylcyclohexyl)azanide;platinum(2+) is CC(=O)C1=C(O)C(C)OC1=O.CC(=O)C1=C(O)C(C)OC1=O.[NH-]C1CCCCC1[NH-].[Pt+2].
What is the InChIKey of bis(4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one);(2-azanidylcyclohexyl)azanide;platinum(2+)?
The InChIKey is PAGASHGEIFLBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8O4.C6H12N2.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;5-8H,1-4H2;/q;;-2;+2.
What are the key properties of bis(4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one);(2-azanidylcyclohexyl)azanide;platinum(2+)?
bis(4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one);(2-azanidylcyclohexyl)azanide;platinum(2+) has a molecular weight of 619.53 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one);(2-azanidylcyclohexyl)azanide;platinum(2+) is sourced from PubChem (CID 162275686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).