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

C14H10O8S2 — CID 54046550

IUPAC1,8-dihydroxyanthracene-2,3-disulfonic acid
SMILESO=S(=O)(O)c1cc2cc3cccc(O)c3cc2c(O)c1S(=O)(=O)O
InChIInChI=1S/C14H10O8S2/c15-11-3-1-2-7-4-8-5-12(23(17,18)19)14(24(20,21)22)13(16)10(8)6-9(7)11/h1-6,15-16H,(H,17,18,19)(H,20,21,22)
InChIKeyLPYRRQBLVJXRGX-UHFFFAOYSA-N
MW370.36 g/mol
LogP1.90
Rot. Bonds2

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

1,8-dihydroxyanthracene-2,3-disulfonic acid (PubChem CID 54046550) has the molecular formula C14H10O8S2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 1,8-dihydroxyanthracene-2,3-disulfonic acid.

Molecular Properties

Compound Name1,8-dihydroxyanthracene-2,3-disulfonic acid
PubChem CID54046550
Molecular FormulaC14H10O8S2
Molecular Weight370.36 g/mol
Exact Mass369.98
IUPAC Name1,8-dihydroxyanthracene-2,3-disulfonic acid
SMILESO=S(=O)(O)c1cc2cc3cccc(O)c3cc2c(O)c1S(=O)(=O)O
InChIInChI=1S/C14H10O8S2/c15-11-3-1-2-7-4-8-5-12(23(17,18)19)14(24(20,21)22)13(16)10(8)6-9(7)11/h1-6,15-16H,(H,17,18,19)(H,20,21,22)
InChIKeyLPYRRQBLVJXRGX-UHFFFAOYSA-N
XLogP1.90
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1,8-dihydroxynaphthalene-2,3-disulfonic acid
CID 22118049
1,3-dihydroxyanthracene-2-sulfonic acid
CID 91522972
2,7-dihydroxynaphthalene-1,3,6-trisulfonic acid
CID 14931165
azane;tricyclo[4.4.0.02,9]deca-1(10),2,4,6,8-pentaene-8-sulfonic acid
CID 174609443
CID 87256464
CID 87256464
2,4-dihydroxybenzene-1,3,5-trisulfonic acid
CID 14197006
CID 173016081
CID 173016081
8-aminonaphthalene-1,6,7-trisulfonic acid
CID 101310263
anthracene-1-sulfonic acid;hydrofluoride
CID 174515955
heptacen-1-ol
CID 150633624
CID 173394881
CID 173394881
1,3-dihydroxynaphthalene-2,6-disulfonic acid
CID 6365319

Frequently Asked Questions

What is the IUPAC name of 1,8-dihydroxyanthracene-2,3-disulfonic acid?
The IUPAC name of 1,8-dihydroxyanthracene-2,3-disulfonic acid (CID 54046550) is 1,8-dihydroxyanthracene-2,3-disulfonic acid.
What is the SMILES notation for 1,8-dihydroxyanthracene-2,3-disulfonic acid?
The canonical SMILES for 1,8-dihydroxyanthracene-2,3-disulfonic acid is O=S(=O)(O)c1cc2cc3cccc(O)c3cc2c(O)c1S(=O)(=O)O.
What is the InChIKey of 1,8-dihydroxyanthracene-2,3-disulfonic acid?
The InChIKey is LPYRRQBLVJXRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O8S2/c15-11-3-1-2-7-4-8-5-12(23(17,18)19)14(24(20,21)22)13(16)10(8)6-9(7)11/h1-6,15-16H,(H,17,18,19)(H,20,21,22).
What are the key properties of 1,8-dihydroxyanthracene-2,3-disulfonic acid?
1,8-dihydroxyanthracene-2,3-disulfonic acid has a molecular weight of 370.36 g/mol, XLogP of 1.90, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxyanthracene-2,3-disulfonic acid is sourced from PubChem (CID 54046550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).