2,4-dihydroxybenzene-1,3,5-trisulfonic acid

C6H6O11S3 — CID 14197006

IUPAC2,4-dihydroxybenzene-1,3,5-trisulfonic acid
SMILESO=S(=O)(O)c1cc(S(=O)(=O)O)c(O)c(S(=O)(=O)O)c1O
InChIInChI=1S/C6H6O11S3/c7-4-2(18(9,10)11)1-3(19(12,13)14)5(8)6(4)20(15,16)17/h1,7-8H,(H,9,10,11)(H,12,13,14)(H,15,16,17)
InChIKeyWSFCHCRTBQKDOR-UHFFFAOYSA-N
MW350.30 g/mol
LogP-1.16
Rot. Bonds3

About 2,4-dihydroxybenzene-1,3,5-trisulfonic acid

2,4-dihydroxybenzene-1,3,5-trisulfonic acid (PubChem CID 14197006) has the molecular formula C6H6O11S3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 2,4-dihydroxybenzene-1,3,5-trisulfonic acid.

Molecular Properties

Compound Name2,4-dihydroxybenzene-1,3,5-trisulfonic acid
PubChem CID14197006
Molecular FormulaC6H6O11S3
Molecular Weight350.30 g/mol
Exact Mass349.91
IUPAC Name2,4-dihydroxybenzene-1,3,5-trisulfonic acid
SMILESO=S(=O)(O)c1cc(S(=O)(=O)O)c(O)c(S(=O)(=O)O)c1O
InChIInChI=1S/C6H6O11S3/c7-4-2(18(9,10)11)1-3(19(12,13)14)5(8)6(4)20(15,16)17/h1,7-8H,(H,9,10,11)(H,12,13,14)(H,15,16,17)
InChIKeyWSFCHCRTBQKDOR-UHFFFAOYSA-N
XLogP-1.16
TPSA203.57 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 5-1.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2,7-dihydroxynaphthalene-1,3,6-trisulfonic acid
CID 14931165
3,5-diamino-2,6-dihydroxybenzenesulfonic acid
CID 141402646
CID 173394881
CID 173394881
2,4,5,6-tetrahydroxybenzene-1,3-disulfonic acid
CID 118268529
trisodium;4,5-dihydroxybenzene-1,2,3-trisulfonic acid;hydride
CID 173394878
7-hydroxy-3,4-dimethyl-2-oxochromene-6,8-disulfonic acid
CID 121006319
3,6-dihydroxybenzene-1,2-disulfonic acid
CID 14848534
1,8-dihydroxynaphthalene-2,3-disulfonic acid
CID 22118049
CID 173398336
CID 173398336
disodium;2-chloro-4,5-dihydroxybenzene-1,3-disulfonic acid;hydride
CID 173021819
sodium;4,5-dihydroxybenzene-1,3-disulfonic acid;hydride
CID 172995228
3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt
CID 87271498

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxybenzene-1,3,5-trisulfonic acid?
The IUPAC name of 2,4-dihydroxybenzene-1,3,5-trisulfonic acid (CID 14197006) is 2,4-dihydroxybenzene-1,3,5-trisulfonic acid.
What is the SMILES notation for 2,4-dihydroxybenzene-1,3,5-trisulfonic acid?
The canonical SMILES for 2,4-dihydroxybenzene-1,3,5-trisulfonic acid is O=S(=O)(O)c1cc(S(=O)(=O)O)c(O)c(S(=O)(=O)O)c1O.
What is the InChIKey of 2,4-dihydroxybenzene-1,3,5-trisulfonic acid?
The InChIKey is WSFCHCRTBQKDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O11S3/c7-4-2(18(9,10)11)1-3(19(12,13)14)5(8)6(4)20(15,16)17/h1,7-8H,(H,9,10,11)(H,12,13,14)(H,15,16,17).
What are the key properties of 2,4-dihydroxybenzene-1,3,5-trisulfonic acid?
2,4-dihydroxybenzene-1,3,5-trisulfonic acid has a molecular weight of 350.30 g/mol, XLogP of -1.16, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxybenzene-1,3,5-trisulfonic acid is sourced from PubChem (CID 14197006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).