copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(3,4,7,8-tetramethyl-1,10-phenanthroline)

C38H39CuN4O6- — CID 54716168

About copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(3,4,7,8-tetramethyl-1,10-phenanthroline)

copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(3,4,7,8-tetramethyl-1,10-phenanthroline) (PubChem CID 54716168) has the molecular formula C38H39CuN4O6- and a molecular weight of 711.30 g/mol. Its IUPAC name is copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(3,4,7,8-tetramethyl-1,10-phenanthroline).

Molecular Properties

• Compound Name: copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(3,4,7,8-tetramethyl-1,10-phenanthroline)
• PubChem CID: 54716168
• Molecular Formula: C38H39CuN4O6-
• Molecular Weight: 711.30 g/mol
• Exact Mass: 710.22
• IUPAC Name: copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(3,4,7,8-tetramethyl-1,10-phenanthroline)
• SMILES: Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.O=C1OC(C(O)C[O-])C(O)=C1O.[Cu]
• InChI: InChI=1S/2C16H16N2.C6H7O6.Cu/c2*1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15;7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*5-8H,1-4H3;2,5,8-10H,1H2;/q;;-1
• InChIKey: STSONEPBBDPRDU-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 161.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.30
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(3,4,7,8-tetramethyl-1,10-phenanthroline)?

The IUPAC name of copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(3,4,7,8-tetramethyl-1,10-phenanthroline) (CID 54716168) is copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(3,4,7,8-tetramethyl-1,10-phenanthroline).

What is the SMILES notation for copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(3,4,7,8-tetramethyl-1,10-phenanthroline)?

The canonical SMILES for copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(3,4,7,8-tetramethyl-1,10-phenanthroline) is Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.O=C1OC(C(O)C[O-])C(O)=C1O.[Cu].

What is the InChIKey of copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(3,4,7,8-tetramethyl-1,10-phenanthroline)?

The InChIKey is STSONEPBBDPRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H16N2.C6H7O6.Cu/c2*1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15;7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*5-8H,1-4H3;2,5,8-10H,1H2;/q;;-1;.

What are the key properties of copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(3,4,7,8-tetramethyl-1,10-phenanthroline)?

copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(3,4,7,8-tetramethyl-1,10-phenanthroline) has a molecular weight of 711.30 g/mol, XLogP of 5.99, 2 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(3,4,7,8-tetramethyl-1,10-phenanthroline) is sourced from PubChem (CID 54716168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).