5-hydroxynaphthalene-1,7-disulfonic acid

C10H8O7S2 — CID 21259642

IUPAC5-hydroxynaphthalene-1,7-disulfonic acid
SMILESO=S(=O)(O)c1cc(O)c2cccc(S(=O)(=O)O)c2c1
InChIInChI=1S/C10H8O7S2/c11-9-5-6(18(12,13)14)4-8-7(9)2-1-3-10(8)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)
InChIKeyWCSDABYIQOLLOV-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.04
Rot. Bonds2

About 5-hydroxynaphthalene-1,7-disulfonic acid

5-hydroxynaphthalene-1,7-disulfonic acid (PubChem CID 21259642) has the molecular formula C10H8O7S2 and a molecular weight of 304.30 g/mol. Its IUPAC name is 5-hydroxynaphthalene-1,7-disulfonic acid.

Molecular Properties

Compound Name5-hydroxynaphthalene-1,7-disulfonic acid
PubChem CID21259642
Molecular FormulaC10H8O7S2
Molecular Weight304.30 g/mol
Exact Mass303.97
IUPAC Name5-hydroxynaphthalene-1,7-disulfonic acid
SMILESO=S(=O)(O)c1cc(O)c2cccc(S(=O)(=O)O)c2c1
InChIInChI=1S/C10H8O7S2/c11-9-5-6(18(12,13)14)4-8-7(9)2-1-3-10(8)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)
InChIKeyWCSDABYIQOLLOV-UHFFFAOYSA-N
XLogP1.04
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxynaphthalene-1,3-disulfonic acid
CID 19366258
8-formyl-4-hydroxynaphthalene-2-sulfonic acid
CID 163232979
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218
4,9-dihydroxyanthracene-2-sulfonic acid
CID 141399647
1,4-dihydroxynaphthalene-2,7-disulfonic acid
CID 151440916
8-[carbamoyl-(5-hydroxy-7-sulfonaphthalen-1-yl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 139768544
4-hydroxy-8-(4-sulfoanilino)naphthalene-2-sulfonic acid
CID 139603980
naphthalene-1,5-disulfonic acid;silver
CID 88762000
sodium;hydride;naphthalene-1,7-disulfonic acid
CID 173344395
1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE
CID 126960168
4-hydroxynaphthalene-1-sulfonic acid
CID 6791
8-[(2-chloroacetyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 154373484

Frequently Asked Questions

What is the IUPAC name of 5-hydroxynaphthalene-1,7-disulfonic acid?
The IUPAC name of 5-hydroxynaphthalene-1,7-disulfonic acid (CID 21259642) is 5-hydroxynaphthalene-1,7-disulfonic acid.
What is the SMILES notation for 5-hydroxynaphthalene-1,7-disulfonic acid?
The canonical SMILES for 5-hydroxynaphthalene-1,7-disulfonic acid is O=S(=O)(O)c1cc(O)c2cccc(S(=O)(=O)O)c2c1.
What is the InChIKey of 5-hydroxynaphthalene-1,7-disulfonic acid?
The InChIKey is WCSDABYIQOLLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O7S2/c11-9-5-6(18(12,13)14)4-8-7(9)2-1-3-10(8)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17).
What are the key properties of 5-hydroxynaphthalene-1,7-disulfonic acid?
5-hydroxynaphthalene-1,7-disulfonic acid has a molecular weight of 304.30 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxynaphthalene-1,7-disulfonic acid is sourced from PubChem (CID 21259642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).