1,5-Naphthalene disulfonic acid,sodium salt

C10H8Na2O6S2 — CID 87069218

IUPAC—
SMILESO=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12.[Na].[Na]
InChIInChI=1S/C10H8O6S2.2Na/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;;/h1-6H,(H,11,12,13)(H,14,15,16);;
InChIKeyDZPDBGURMVIGOL-UHFFFAOYSA-N
MW334.28 g/mol
LogP0.57
Rot. Bonds2

About 1,5-Naphthalene disulfonic acid,sodium salt

1,5-Naphthalene disulfonic acid,sodium salt (PubChem CID 87069218) has the molecular formula C10H8Na2O6S2 and a molecular weight of 334.28 g/mol.

Molecular Properties

Compound Name1,5-Naphthalene disulfonic acid,sodium salt
PubChem CID87069218
Molecular FormulaC10H8Na2O6S2
Molecular Weight334.28 g/mol
Exact Mass333.96
IUPAC Name—
SMILESO=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12.[Na].[Na]
InChIInChI=1S/C10H8O6S2.2Na/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;;/h1-6H,(H,11,12,13)(H,14,15,16);;
InChIKeyDZPDBGURMVIGOL-UHFFFAOYSA-N
XLogP0.57
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

naphthalene-1,5-disulfonic acid;silver
CID 88762000
5-sulfonaphthalene-1-sulfonate
CID 3517121
naphthalene-1-sulfonic acid
CID 158712346
CID 87599032
CID 87599032
CID 87877281
CID 87877281
aluminum naphthalene-1-sulfonic acid
CID 19753639
4-(4-sulfonaphthalen-1-yl)naphthalene-1-sulfonic acid
CID 15258357
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
2-hydroxynaphthalene-1,5-disulfonic acid
CID 19366260
CID 172685149
CID 172685149
magnesium;hydride;phenanthrene-1-sulfonic acid
CID 174836310

Frequently Asked Questions

What is the IUPAC name of 1,5-Naphthalene disulfonic acid,sodium salt?
The IUPAC name of 1,5-Naphthalene disulfonic acid,sodium salt (CID 87069218) is not available.
What is the SMILES notation for 1,5-Naphthalene disulfonic acid,sodium salt?
The canonical SMILES for 1,5-Naphthalene disulfonic acid,sodium salt is O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12.[Na].[Na].
What is the InChIKey of 1,5-Naphthalene disulfonic acid,sodium salt?
The InChIKey is DZPDBGURMVIGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O6S2.2Na/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;;/h1-6H,(H,11,12,13)(H,14,15,16);;.
What are the key properties of 1,5-Naphthalene disulfonic acid,sodium salt?
1,5-Naphthalene disulfonic acid,sodium salt has a molecular weight of 334.28 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-Naphthalene disulfonic acid,sodium salt is sourced from PubChem (CID 87069218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).