dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid

C22H14O6Zn2+4 — CID 161380259

IUPACdizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2c(-c2c(O)c(C(=O)O)cc3ccccc23)c1O.[Zn+2].[Zn+2]
InChIInChI=1S/C22H14O6.2Zn/c23-19-15(21(25)26)9-11-5-1-3-7-13(11)17(19)18-14-8-4-2-6-12(14)10-16(20(18)24)22(27)28;;/h1-10,23-24H,(H,25,26)(H,27,28);;/q;2*+2
InChIKeyVRPXNJXLNAEOKN-UHFFFAOYSA-N
MW505.13 g/mol
LogP4.46
Rot. Bonds3

About dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid

dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid (PubChem CID 161380259) has the molecular formula C22H14O6Zn2+4 and a molecular weight of 505.13 g/mol. Its IUPAC name is dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Namedizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
PubChem CID161380259
Molecular FormulaC22H14O6Zn2+4
Molecular Weight505.13 g/mol
Exact Mass501.94
IUPAC Namedizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2c(-c2c(O)c(C(=O)O)cc3ccccc23)c1O.[Zn+2].[Zn+2]
InChIInChI=1S/C22H14O6.2Zn/c23-19-15(21(25)26)9-11-5-1-3-7-13(11)17(19)18-14-8-4-2-6-12(14)10-16(20(18)24)22(27)28;;/h1-10,23-24H,(H,25,26)(H,27,28);;/q;2*+2
InChIKeyVRPXNJXLNAEOKN-UHFFFAOYSA-N
XLogP4.46
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.13
LogP ≤ 54.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid
CID 160574931
3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 178068775
3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 11810055
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121
methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
calcium;4-bromo-3-hydroxynaphthalene-2-carboxylic acid;hydride
CID 173370957
4-hydroxy-3-methylnaphthalene-2-carboxylic acid
CID 58932971
3-hydroxy-4-phenylnaphthalene-2-carboxamide
CID 20573935
4-ethyl-3-hydroxynaphthalene-2-carboxylic acid
CID 141486602
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;oxalic acid
CID 69083270
aluminum 4-(3-carboxy-2-oxidonaphthalen-1-yl)-3-oxidonaphthalene-2-carboxylate
CID 54682510
4-benzyl-3-hydroxynaphthalene-2-carboxylic acid
CID 22237045

Frequently Asked Questions

What is the IUPAC name of dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid (CID 161380259) is dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid is O=C(O)c1cc2ccccc2c(-c2c(O)c(C(=O)O)cc3ccccc23)c1O.[Zn+2].[Zn+2].
What is the InChIKey of dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is VRPXNJXLNAEOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O6.2Zn/c23-19-15(21(25)26)9-11-5-1-3-7-13(11)17(19)18-14-8-4-2-6-12(14)10-16(20(18)24)22(27)28;;/h1-10,23-24H,(H,25,26)(H,27,28);;/q;2*+2.
What are the key properties of dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid?
dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 505.13 g/mol, XLogP of 4.46, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 161380259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).