6,7-dihydroxyanthracene-2-sulfonic acid

C14H10O5S — CID 141399641

IUPAC6,7-dihydroxyanthracene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2cc3cc(O)c(O)cc3cc2c1
InChIInChI=1S/C14H10O5S/c15-13-6-10-3-8-1-2-12(20(17,18)19)5-9(8)4-11(10)7-14(13)16/h1-7,15-16H,(H,17,18,19)
InChIKeyDBWNHGWHHLZWLG-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.65
Rot. Bonds1

About 6,7-dihydroxyanthracene-2-sulfonic acid

6,7-dihydroxyanthracene-2-sulfonic acid (PubChem CID 141399641) has the molecular formula C14H10O5S and a molecular weight of 290.30 g/mol. Its IUPAC name is 6,7-dihydroxyanthracene-2-sulfonic acid.

Molecular Properties

Compound Name6,7-dihydroxyanthracene-2-sulfonic acid
PubChem CID141399641
Molecular FormulaC14H10O5S
Molecular Weight290.30 g/mol
Exact Mass290.02
IUPAC Name6,7-dihydroxyanthracene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2cc3cc(O)c(O)cc3cc2c1
InChIInChI=1S/C14H10O5S/c15-13-6-10-3-8-1-2-12(20(17,18)19)5-9(8)4-11(10)7-14(13)16/h1-7,15-16H,(H,17,18,19)
InChIKeyDBWNHGWHHLZWLG-UHFFFAOYSA-N
XLogP2.65
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

tetracene-2-sulfonic acid
CID 21483873
disodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid
CID 174552930
anthracene-2,6-disulfonic acid;bis(guanidine)
CID 175713431
sodium;anthracene-2-sulfonic acid;hydride
CID 173016087
naphthalene-2,3,6-trisulfonic acid
CID 42609669
6-hydroxynaphthalene-2-sulfonic acid;nickel
CID 175470147
naphthalene-2-sulfonic acid
CID 8420
disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid
CID 173012755
CID 87246277
CID 87246277
naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 88530425
CID 88530425
6-sulfanylnaphthalene-2-sulfonic acid
CID 57069240

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroxyanthracene-2-sulfonic acid?
The IUPAC name of 6,7-dihydroxyanthracene-2-sulfonic acid (CID 141399641) is 6,7-dihydroxyanthracene-2-sulfonic acid.
What is the SMILES notation for 6,7-dihydroxyanthracene-2-sulfonic acid?
The canonical SMILES for 6,7-dihydroxyanthracene-2-sulfonic acid is O=S(=O)(O)c1ccc2cc3cc(O)c(O)cc3cc2c1.
What is the InChIKey of 6,7-dihydroxyanthracene-2-sulfonic acid?
The InChIKey is DBWNHGWHHLZWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5S/c15-13-6-10-3-8-1-2-12(20(17,18)19)5-9(8)4-11(10)7-14(13)16/h1-7,15-16H,(H,17,18,19).
What are the key properties of 6,7-dihydroxyanthracene-2-sulfonic acid?
6,7-dihydroxyanthracene-2-sulfonic acid has a molecular weight of 290.30 g/mol, XLogP of 2.65, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroxyanthracene-2-sulfonic acid is sourced from PubChem (CID 141399641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).