4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+)

C20H27N2O8Pt+ — CID 54713773

IUPAC4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+)
SMILESCC(=O)C1=C(O)C(C)OC1=O.CC(=O)C1=C([O-])C(C)OC1=O.[NH-]C1CCCC[C@H]1[NH-].[Pt+4]
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;+4/p-1/t;;5-,6?;/m..1./s1
InChIKeyPHWOOTRKXNOARD-XJIGFLRXSA-M
MW618.52 g/mol
LogP1.87
Rot. Bonds2

About 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+)

4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+) (PubChem CID 54713773) has the molecular formula C20H27N2O8Pt+ and a molecular weight of 618.52 g/mol. Its IUPAC name is 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+).

Molecular Properties

Compound Name4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+)
PubChem CID54713773
Molecular FormulaC20H27N2O8Pt+
Molecular Weight618.52 g/mol
Exact Mass618.14
IUPAC Name4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+)
SMILESCC(=O)C1=C(O)C(C)OC1=O.CC(=O)C1=C([O-])C(C)OC1=O.[NH-]C1CCCC[C@H]1[NH-].[Pt+4]
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;+4/p-1/t;;5-,6?;/m..1./s1
InChIKeyPHWOOTRKXNOARD-XJIGFLRXSA-M
XLogP1.87
TPSA177.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.52
LogP ≤ 51.87
H-Bond Donors ≤ 51
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 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+)?
The IUPAC name of 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+) (CID 54713773) is 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+).
What is the SMILES notation for 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+)?
The canonical SMILES for 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+) is CC(=O)C1=C(O)C(C)OC1=O.CC(=O)C1=C([O-])C(C)OC1=O.[NH-]C1CCCC[C@H]1[NH-].[Pt+4].
What is the InChIKey of 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+)?
The InChIKey is PHWOOTRKXNOARD-XJIGFLRXSA-M. 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;+4/p-1/t;;5-,6?;/m..1./s1.
What are the key properties of 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+)?
4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+) has a molecular weight of 618.52 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+) is sourced from PubChem (CID 54713773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).