3,5,7-trihydroxynaphthalene-1-sulfonic acid

C10H8O6S — CID 141399628

IUPAC3,5,7-trihydroxynaphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1cc(O)cc2c(O)cc(O)cc12
InChIInChI=1S/C10H8O6S/c11-5-2-8-7(9(13)3-5)1-6(12)4-10(8)17(14,15)16/h1-4,11-13H,(H,14,15,16)
InChIKeyCGUXMZYMAORJHN-UHFFFAOYSA-N
MW256.23 g/mol
LogP1.20
Rot. Bonds1

About 3,5,7-trihydroxynaphthalene-1-sulfonic acid

3,5,7-trihydroxynaphthalene-1-sulfonic acid (PubChem CID 141399628) has the molecular formula C10H8O6S and a molecular weight of 256.23 g/mol. Its IUPAC name is 3,5,7-trihydroxynaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name3,5,7-trihydroxynaphthalene-1-sulfonic acid
PubChem CID141399628
Molecular FormulaC10H8O6S
Molecular Weight256.23 g/mol
Exact Mass256.00
IUPAC Name3,5,7-trihydroxynaphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1cc(O)cc2c(O)cc(O)cc12
InChIInChI=1S/C10H8O6S/c11-5-2-8-7(9(13)3-5)1-6(12)4-10(8)17(14,15)16/h1-4,11-13H,(H,14,15,16)
InChIKeyCGUXMZYMAORJHN-UHFFFAOYSA-N
XLogP1.20
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,5,7-trihydroxynaphthalene-1-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 86743193
CID 86743193
CID 87275188
CID 87275188
azane;2,4-dihydroxybenzenesulfonic acid
CID 131881093
6-hydroxy-1H-indazole-4-sulfonic acid
CID 137006995
CID 173398336
CID 173398336
3,7-diacetylnaphthalene-1,5-disulfonic acid
CID 129149504
5-hydroxynaphthalene-1,3-disulfonic acid
CID 19366258
potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride
CID 173216903
5-hydroxynaphthalene-1,7-disulfonic acid
CID 21259642
7-hydroxynaphthalene-1,2-disulfonic acid
CID 101310160
4-carbamoyloxy-5-hydroxybenzene-1,3-disulfonic acid
CID 87517544
[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenyl] hydrogen sulfate
CID 15126366

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trihydroxynaphthalene-1-sulfonic acid?
The IUPAC name of 3,5,7-trihydroxynaphthalene-1-sulfonic acid (CID 141399628) is 3,5,7-trihydroxynaphthalene-1-sulfonic acid.
What is the SMILES notation for 3,5,7-trihydroxynaphthalene-1-sulfonic acid?
The canonical SMILES for 3,5,7-trihydroxynaphthalene-1-sulfonic acid is O=S(=O)(O)c1cc(O)cc2c(O)cc(O)cc12.
What is the InChIKey of 3,5,7-trihydroxynaphthalene-1-sulfonic acid?
The InChIKey is CGUXMZYMAORJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O6S/c11-5-2-8-7(9(13)3-5)1-6(12)4-10(8)17(14,15)16/h1-4,11-13H,(H,14,15,16).
What are the key properties of 3,5,7-trihydroxynaphthalene-1-sulfonic acid?
3,5,7-trihydroxynaphthalene-1-sulfonic acid has a molecular weight of 256.23 g/mol, XLogP of 1.20, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trihydroxynaphthalene-1-sulfonic acid is sourced from PubChem (CID 141399628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).