potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride

C6H7KO8S2 — CID 173216903

IUPACpotassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride
SMILESO=S(=O)(O)c1cc(O)c(S(=O)(=O)O)cc1O.[H-].[K+]
InChIInChI=1S/C6H6O8S2.K.H/c7-3-1-5(15(9,10)11)4(8)2-6(3)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;+1;-1
InChIKeyVVBQYEHGVMVSOD-UHFFFAOYSA-N
MW310.35 g/mol
LogP-3.29
Rot. Bonds2

About potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride

potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride (PubChem CID 173216903) has the molecular formula C6H7KO8S2 and a molecular weight of 310.35 g/mol. Its IUPAC name is potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride.

Molecular Properties

Compound Namepotassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride
PubChem CID173216903
Molecular FormulaC6H7KO8S2
Molecular Weight310.35 g/mol
Exact Mass309.92
IUPAC Namepotassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride
SMILESO=S(=O)(O)c1cc(O)c(S(=O)(=O)O)cc1O.[H-].[K+]
InChIInChI=1S/C6H6O8S2.K.H/c7-3-1-5(15(9,10)11)4(8)2-6(3)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;+1;-1
InChIKeyVVBQYEHGVMVSOD-UHFFFAOYSA-N
XLogP-3.29
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-3.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 173398336
CID 173398336
2,5-dihydroxy-4-methylbenzenesulfonic acid
CID 18724887
2,5-dihydroxy-4-phenylbenzenesulfonic acid
CID 168873086
potassium;6,7-dihydroxynaphthalene-2,3-disulfonic acid;hydride
CID 173070046
azane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid
CID 146681212
potassium;hydride;2-hydroxy-5-[2-(4-hydroxy-3-sulfophenyl)propan-2-yl]benzenesulfonic acid
CID 173416926
potassium;hydride;3-hydroxy-4-sulfobenzoic acid
CID 173217056
trisodium;4,5-dihydroxybenzene-1,2,3-trisulfonic acid;hydride
CID 173394878
sodium;bis(3-hydroxy-9,10-dioxoanthracene-2-sulfonic acid);hydrate
CID 126456623
4-hydroxy-6-methoxybenzene-1,3-disulfonic acid
CID 14197010
azane;2,4-dihydroxybenzenesulfonic acid
CID 131881093
disodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid
CID 174552930

Frequently Asked Questions

What is the IUPAC name of potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride?
The IUPAC name of potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride (CID 173216903) is potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride.
What is the SMILES notation for potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride?
The canonical SMILES for potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride is O=S(=O)(O)c1cc(O)c(S(=O)(=O)O)cc1O.[H-].[K+].
What is the InChIKey of potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride?
The InChIKey is VVBQYEHGVMVSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O8S2.K.H/c7-3-1-5(15(9,10)11)4(8)2-6(3)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;+1;-1.
What are the key properties of potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride?
potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride has a molecular weight of 310.35 g/mol, XLogP of -3.29, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride is sourced from PubChem (CID 173216903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).