tetrasodium;naphthalene-1,2,5,8-tetracarboxylate

C14H4Na4O8 — CID 101297492

IUPACtetrasodium;naphthalene-1,2,5,8-tetracarboxylate
SMILESO=C([O-])c1ccc2c(C(=O)[O-])ccc(C(=O)[O-])c2c1C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C14H8O8.4Na/c15-11(16)6-2-4-7(12(17)18)9-5(6)1-3-8(13(19)20)10(9)14(21)22;;;;/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22);;;;/q;4*+1/p-4
InChIKeySIHFEJOUWPPGFP-UHFFFAOYSA-J
MW392.14 g/mol
LogP-15.69
Rot. Bonds4

About tetrasodium;naphthalene-1,2,5,8-tetracarboxylate

tetrasodium;naphthalene-1,2,5,8-tetracarboxylate (PubChem CID 101297492) has the molecular formula C14H4Na4O8 and a molecular weight of 392.14 g/mol. Its IUPAC name is tetrasodium;naphthalene-1,2,5,8-tetracarboxylate.

Molecular Properties

Compound Nametetrasodium;naphthalene-1,2,5,8-tetracarboxylate
PubChem CID101297492
Molecular FormulaC14H4Na4O8
Molecular Weight392.14 g/mol
Exact Mass391.95
IUPAC Nametetrasodium;naphthalene-1,2,5,8-tetracarboxylate
SMILESO=C([O-])c1ccc2c(C(=O)[O-])ccc(C(=O)[O-])c2c1C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C14H8O8.4Na/c15-11(16)6-2-4-7(12(17)18)9-5(6)1-3-8(13(19)20)10(9)14(21)22;;;;/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22);;;;/q;4*+1/p-4
InChIKeySIHFEJOUWPPGFP-UHFFFAOYSA-J
XLogP-15.69
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.14
LogP ≤ 5-15.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

hexapotassium;naphthalene-1,2,3,4,5,6-hexacarboxylate
CID 101297555
tetraazanium;benzene-1,2,3,4-tetracarboxylate
CID 69282657
trimagnesium bis(benzene-1,2,3-tricarboxylate)
CID 67068179
dipotassium;naphthalene-1,4-dicarboxylate
CID 101297429
bis(iron(3+));tris(naphthalene-1,2-dicarboxylate)
CID 67068173
trisodium;4-propan-2-ylbenzene-1,2,3-tricarboxylate
CID 67715339
hexasodium;naphthalene-1,2,3,4,6,7-hexacarboxylate
CID 101297564
disodium;3,4-diethylphthalate
CID 140970189
2,3-bis(prop-1-en-2-yl)terephthalate
CID 22222062
disodium;3-tert-butyl-4-ethylphthalate
CID 139676080
sodium 2,3-dicarboxybenzoate
CID 166682302
disodium;hydron;phthalate
CID 23089010

Frequently Asked Questions

What is the IUPAC name of tetrasodium;naphthalene-1,2,5,8-tetracarboxylate?
The IUPAC name of tetrasodium;naphthalene-1,2,5,8-tetracarboxylate (CID 101297492) is tetrasodium;naphthalene-1,2,5,8-tetracarboxylate.
What is the SMILES notation for tetrasodium;naphthalene-1,2,5,8-tetracarboxylate?
The canonical SMILES for tetrasodium;naphthalene-1,2,5,8-tetracarboxylate is O=C([O-])c1ccc2c(C(=O)[O-])ccc(C(=O)[O-])c2c1C(=O)[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;naphthalene-1,2,5,8-tetracarboxylate?
The InChIKey is SIHFEJOUWPPGFP-UHFFFAOYSA-J. The full InChI is InChI=1S/C14H8O8.4Na/c15-11(16)6-2-4-7(12(17)18)9-5(6)1-3-8(13(19)20)10(9)14(21)22;;;;/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22);;;;/q;4*+1/p-4.
What are the key properties of tetrasodium;naphthalene-1,2,5,8-tetracarboxylate?
tetrasodium;naphthalene-1,2,5,8-tetracarboxylate has a molecular weight of 392.14 g/mol, XLogP of -15.69, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;naphthalene-1,2,5,8-tetracarboxylate is sourced from PubChem (CID 101297492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).