1,8-dihydroxynaphthalene-2,3-disulfonic acid

C10H8O8S2 — CID 22118049

IUPAC1,8-dihydroxynaphthalene-2,3-disulfonic acid
SMILESO=S(=O)(O)c1cc2cccc(O)c2c(O)c1S(=O)(=O)O
InChIInChI=1S/C10H8O8S2/c11-6-3-1-2-5-4-7(19(13,14)15)10(20(16,17)18)9(12)8(5)6/h1-4,11-12H,(H,13,14,15)(H,16,17,18)
InChIKeyVUTILCOOJQMSJS-UHFFFAOYSA-N
MW320.30 g/mol
LogP0.74
Rot. Bonds2

About 1,8-dihydroxynaphthalene-2,3-disulfonic acid

1,8-dihydroxynaphthalene-2,3-disulfonic acid (PubChem CID 22118049) has the molecular formula C10H8O8S2 and a molecular weight of 320.30 g/mol. Its IUPAC name is 1,8-dihydroxynaphthalene-2,3-disulfonic acid.

Molecular Properties

Compound Name1,8-dihydroxynaphthalene-2,3-disulfonic acid
PubChem CID22118049
Molecular FormulaC10H8O8S2
Molecular Weight320.30 g/mol
Exact Mass319.97
IUPAC Name1,8-dihydroxynaphthalene-2,3-disulfonic acid
SMILESO=S(=O)(O)c1cc2cccc(O)c2c(O)c1S(=O)(=O)O
InChIInChI=1S/C10H8O8S2/c11-6-3-1-2-5-4-7(19(13,14)15)10(20(16,17)18)9(12)8(5)6/h1-4,11-12H,(H,13,14,15)(H,16,17,18)
InChIKeyVUTILCOOJQMSJS-UHFFFAOYSA-N
XLogP0.74
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 1,8-dihydroxynaphthalene-2,3-disulfonic acid?
The IUPAC name of 1,8-dihydroxynaphthalene-2,3-disulfonic acid (CID 22118049) is 1,8-dihydroxynaphthalene-2,3-disulfonic acid.
What is the SMILES notation for 1,8-dihydroxynaphthalene-2,3-disulfonic acid?
The canonical SMILES for 1,8-dihydroxynaphthalene-2,3-disulfonic acid is O=S(=O)(O)c1cc2cccc(O)c2c(O)c1S(=O)(=O)O.
What is the InChIKey of 1,8-dihydroxynaphthalene-2,3-disulfonic acid?
The InChIKey is VUTILCOOJQMSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O8S2/c11-6-3-1-2-5-4-7(19(13,14)15)10(20(16,17)18)9(12)8(5)6/h1-4,11-12H,(H,13,14,15)(H,16,17,18).
What are the key properties of 1,8-dihydroxynaphthalene-2,3-disulfonic acid?
1,8-dihydroxynaphthalene-2,3-disulfonic acid has a molecular weight of 320.30 g/mol, XLogP of 0.74, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxynaphthalene-2,3-disulfonic acid is sourced from PubChem (CID 22118049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).