5,10-dioxo-6,9-dihydroanthracene-1,6-disulfonic acid

C14H10O8S2 — CID 102090708

IUPAC5,10-dioxo-6,9-dihydroanthracene-1,6-disulfonic acid
SMILESO=C1C2=C(C=CC(S(=O)(=O)O)C2=O)Cc2c1cccc2S(=O)(=O)O
InChIInChI=1S/C14H10O8S2/c15-13-8-2-1-3-10(23(17,18)19)9(8)6-7-4-5-11(24(20,21)22)14(16)12(7)13/h1-5,11H,6H2,(H,17,18,19)(H,20,21,22)
InChIKeyNDKQDEFWYGLLLY-UHFFFAOYSA-N
MW370.36 g/mol
LogP0.36
Rot. Bonds2

About 5,10-dioxo-6,9-dihydroanthracene-1,6-disulfonic acid

5,10-dioxo-6,9-dihydroanthracene-1,6-disulfonic acid (PubChem CID 102090708) has the molecular formula C14H10O8S2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 5,10-dioxo-6,9-dihydroanthracene-1,6-disulfonic acid.

Molecular Properties

Compound Name5,10-dioxo-6,9-dihydroanthracene-1,6-disulfonic acid
PubChem CID102090708
Molecular FormulaC14H10O8S2
Molecular Weight370.36 g/mol
Exact Mass369.98
IUPAC Name5,10-dioxo-6,9-dihydroanthracene-1,6-disulfonic acid
SMILESO=C1C2=C(C=CC(S(=O)(=O)O)C2=O)Cc2c1cccc2S(=O)(=O)O
InChIInChI=1S/C14H10O8S2/c15-13-8-2-1-3-10(23(17,18)19)9(8)6-7-4-5-11(24(20,21)22)14(16)12(7)13/h1-5,11H,6H2,(H,17,18,19)(H,20,21,22)
InChIKeyNDKQDEFWYGLLLY-UHFFFAOYSA-N
XLogP0.36
TPSA142.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

5-oxo-7,8-dihydro-6H-naphthalene-1,7-disulfonic acid
CID 131853820
biphenylene-1,5-disulfonic acid
CID 165163925
CID 87729944
CID 87729944
6-azido-5-oxo-6H-naphthalene-1-sulfonic acid
CID 101039421
5-methyl-9,10-dioxoanthracene-1-sulfonic acid
CID 89441677
lithium;9,10-dioxoanthracene-1-sulfonic acid;hydride
CID 174968408
9,10-dihydroacridine-1-sulfonic acid
CID 163637322
naphthalene-1,5-disulfonic acid;silver
CID 88762000
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218
2,3-dimethylbenzenesulfonic acid;hydrobromide
CID 174797695
2-methylbenzenesulfonic acid
CID 6925
CID 173308144
CID 173308144

Frequently Asked Questions

What is the IUPAC name of 5,10-dioxo-6,9-dihydroanthracene-1,6-disulfonic acid?
The IUPAC name of 5,10-dioxo-6,9-dihydroanthracene-1,6-disulfonic acid (CID 102090708) is 5,10-dioxo-6,9-dihydroanthracene-1,6-disulfonic acid.
What is the SMILES notation for 5,10-dioxo-6,9-dihydroanthracene-1,6-disulfonic acid?
The canonical SMILES for 5,10-dioxo-6,9-dihydroanthracene-1,6-disulfonic acid is O=C1C2=C(C=CC(S(=O)(=O)O)C2=O)Cc2c1cccc2S(=O)(=O)O.
What is the InChIKey of 5,10-dioxo-6,9-dihydroanthracene-1,6-disulfonic acid?
The InChIKey is NDKQDEFWYGLLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O8S2/c15-13-8-2-1-3-10(23(17,18)19)9(8)6-7-4-5-11(24(20,21)22)14(16)12(7)13/h1-5,11H,6H2,(H,17,18,19)(H,20,21,22).
What are the key properties of 5,10-dioxo-6,9-dihydroanthracene-1,6-disulfonic acid?
5,10-dioxo-6,9-dihydroanthracene-1,6-disulfonic acid has a molecular weight of 370.36 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dioxo-6,9-dihydroanthracene-1,6-disulfonic acid is sourced from PubChem (CID 102090708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).