disodium;3-hydroxynaphthalene-2,7-disulfonate

C10H6Na2O7S2 — CID 8673

IUPACdisodium;3-hydroxynaphthalene-2,7-disulfonate
SMILESO=S(=O)([O-])c1ccc2cc(O)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+]
InChIInChI=1S/C10H8O7S2.2Na/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeyVNEBWJSWMVTSHK-UHFFFAOYSA-L
MW348.27 g/mol
LogP-5.64
Rot. Bonds2

About disodium;3-hydroxynaphthalene-2,7-disulfonate

disodium;3-hydroxynaphthalene-2,7-disulfonate (PubChem CID 8673) has the molecular formula C10H6Na2O7S2 and a molecular weight of 348.27 g/mol. Its IUPAC name is disodium;3-hydroxynaphthalene-2,7-disulfonate.

Molecular Properties

Compound Namedisodium;3-hydroxynaphthalene-2,7-disulfonate
PubChem CID8673
Molecular FormulaC10H6Na2O7S2
Molecular Weight348.27 g/mol
Exact Mass347.94
IUPAC Namedisodium;3-hydroxynaphthalene-2,7-disulfonate
SMILESO=S(=O)([O-])c1ccc2cc(O)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+]
InChIInChI=1S/C10H8O7S2.2Na/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeyVNEBWJSWMVTSHK-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;3-hydroxynaphthalene-2,7-disulfonate?
The IUPAC name of disodium;3-hydroxynaphthalene-2,7-disulfonate (CID 8673) is disodium;3-hydroxynaphthalene-2,7-disulfonate.
What is the SMILES notation for disodium;3-hydroxynaphthalene-2,7-disulfonate?
The canonical SMILES for disodium;3-hydroxynaphthalene-2,7-disulfonate is O=S(=O)([O-])c1ccc2cc(O)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].
What is the InChIKey of disodium;3-hydroxynaphthalene-2,7-disulfonate?
The InChIKey is VNEBWJSWMVTSHK-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8O7S2.2Na/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)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;3-hydroxynaphthalene-2,7-disulfonate?
disodium;3-hydroxynaphthalene-2,7-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;3-hydroxynaphthalene-2,7-disulfonate is sourced from PubChem (CID 8673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).