potassium;6,7-dihydroxynaphthalene-2,3-disulfonic acid;hydride

C10H9KO8S2 — CID 173070046

IUPACpotassium;6,7-dihydroxynaphthalene-2,3-disulfonic acid;hydride
SMILESO=S(=O)(O)c1cc2cc(O)c(O)cc2cc1S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C10H8O8S2.K.H/c11-7-1-5-3-9(19(13,14)15)10(20(16,17)18)4-6(5)2-8(7)12;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;/q;+1;-1
InChIKeyCULANOZNBOXOIN-UHFFFAOYSA-N
MW360.41 g/mol
LogP-2.14
Rot. Bonds2

About potassium;6,7-dihydroxynaphthalene-2,3-disulfonic acid;hydride

potassium;6,7-dihydroxynaphthalene-2,3-disulfonic acid;hydride (PubChem CID 173070046) has the molecular formula C10H9KO8S2 and a molecular weight of 360.41 g/mol. Its IUPAC name is potassium;6,7-dihydroxynaphthalene-2,3-disulfonic acid;hydride.

Molecular Properties

Compound Namepotassium;6,7-dihydroxynaphthalene-2,3-disulfonic acid;hydride
PubChem CID173070046
Molecular FormulaC10H9KO8S2
Molecular Weight360.41 g/mol
Exact Mass359.94
IUPAC Namepotassium;6,7-dihydroxynaphthalene-2,3-disulfonic acid;hydride
SMILESO=S(=O)(O)c1cc2cc(O)c(O)cc2cc1S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C10H8O8S2.K.H/c11-7-1-5-3-9(19(13,14)15)10(20(16,17)18)4-6(5)2-8(7)12;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;/q;+1;-1
InChIKeyCULANOZNBOXOIN-UHFFFAOYSA-N
XLogP-2.14
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 5-2.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;6,7-dihydroxynaphthalene-2,3-disulfonic acid;hydride?
The IUPAC name of potassium;6,7-dihydroxynaphthalene-2,3-disulfonic acid;hydride (CID 173070046) is potassium;6,7-dihydroxynaphthalene-2,3-disulfonic acid;hydride.
What is the SMILES notation for potassium;6,7-dihydroxynaphthalene-2,3-disulfonic acid;hydride?
The canonical SMILES for potassium;6,7-dihydroxynaphthalene-2,3-disulfonic acid;hydride is O=S(=O)(O)c1cc2cc(O)c(O)cc2cc1S(=O)(=O)O.[H-].[K+].
What is the InChIKey of potassium;6,7-dihydroxynaphthalene-2,3-disulfonic acid;hydride?
The InChIKey is CULANOZNBOXOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O8S2.K.H/c11-7-1-5-3-9(19(13,14)15)10(20(16,17)18)4-6(5)2-8(7)12;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;/q;+1;-1.
What are the key properties of potassium;6,7-dihydroxynaphthalene-2,3-disulfonic acid;hydride?
potassium;6,7-dihydroxynaphthalene-2,3-disulfonic acid;hydride has a molecular weight of 360.41 g/mol, XLogP of -2.14, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;6,7-dihydroxynaphthalene-2,3-disulfonic acid;hydride is sourced from PubChem (CID 173070046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).