disodium;8-hydroxynaphthalene-1,6-disulfonate

C10H6Na2O7S2 — CID 11970730

IUPACdisodium;8-hydroxynaphthalene-1,6-disulfonate
SMILESO=S(=O)([O-])c1cc(O)c2c(S(=O)(=O)[O-])cccc2c1.[Na+].[Na+]
InChIInChI=1S/C10H8O7S2.2Na/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeyKFHVAHCQOBQJQA-UHFFFAOYSA-L
MW348.27 g/mol
LogP-5.64
Rot. Bonds2

About disodium;8-hydroxynaphthalene-1,6-disulfonate

disodium;8-hydroxynaphthalene-1,6-disulfonate (PubChem CID 11970730) has the molecular formula C10H6Na2O7S2 and a molecular weight of 348.27 g/mol. Its IUPAC name is disodium;8-hydroxynaphthalene-1,6-disulfonate.

Molecular Properties

Compound Namedisodium;8-hydroxynaphthalene-1,6-disulfonate
PubChem CID11970730
Molecular FormulaC10H6Na2O7S2
Molecular Weight348.27 g/mol
Exact Mass347.94
IUPAC Namedisodium;8-hydroxynaphthalene-1,6-disulfonate
SMILESO=S(=O)([O-])c1cc(O)c2c(S(=O)(=O)[O-])cccc2c1.[Na+].[Na+]
InChIInChI=1S/C10H8O7S2.2Na/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeyKFHVAHCQOBQJQA-UHFFFAOYSA-L
XLogP-5.64
TPSA134.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 5-5.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;8-hydroxynaphthalene-1,6-disulfonate?
The IUPAC name of disodium;8-hydroxynaphthalene-1,6-disulfonate (CID 11970730) is disodium;8-hydroxynaphthalene-1,6-disulfonate.
What is the SMILES notation for disodium;8-hydroxynaphthalene-1,6-disulfonate?
The canonical SMILES for disodium;8-hydroxynaphthalene-1,6-disulfonate is O=S(=O)([O-])c1cc(O)c2c(S(=O)(=O)[O-])cccc2c1.[Na+].[Na+].
What is the InChIKey of disodium;8-hydroxynaphthalene-1,6-disulfonate?
The InChIKey is KFHVAHCQOBQJQA-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8O7S2.2Na/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2.
What are the key properties of disodium;8-hydroxynaphthalene-1,6-disulfonate?
disodium;8-hydroxynaphthalene-1,6-disulfonate has a molecular weight of 348.27 g/mol, XLogP of -5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;8-hydroxynaphthalene-1,6-disulfonate is sourced from PubChem (CID 11970730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).