dipotassium;6-aminonaphthalene-1,3-disulfonate

C10H7K2NO6S2 — CID 2762591

IUPACdipotassium;6-aminonaphthalene-1,3-disulfonate
SMILESNc1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2c1.[K+].[K+]
InChIInChI=1S/C10H9NO6S2.2K/c11-7-1-2-9-6(3-7)4-8(18(12,13)14)5-10(9)19(15,16)17;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeyRXXREFZUDCKCOQ-UHFFFAOYSA-L
MW379.50 g/mol
LogP-5.76
Rot. Bonds2

About dipotassium;6-aminonaphthalene-1,3-disulfonate

dipotassium;6-aminonaphthalene-1,3-disulfonate (PubChem CID 2762591) has the molecular formula C10H7K2NO6S2 and a molecular weight of 379.50 g/mol. Its IUPAC name is dipotassium;6-aminonaphthalene-1,3-disulfonate.

Molecular Properties

Compound Namedipotassium;6-aminonaphthalene-1,3-disulfonate
PubChem CID2762591
Molecular FormulaC10H7K2NO6S2
Molecular Weight379.50 g/mol
Exact Mass378.90
IUPAC Namedipotassium;6-aminonaphthalene-1,3-disulfonate
SMILESNc1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2c1.[K+].[K+]
InChIInChI=1S/C10H9NO6S2.2K/c11-7-1-2-9-6(3-7)4-8(18(12,13)14)5-10(9)19(15,16)17;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeyRXXREFZUDCKCOQ-UHFFFAOYSA-L
XLogP-5.76
TPSA140.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 5-5.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipotassium;6-aminonaphthalene-1,3-disulfonate?
The IUPAC name of dipotassium;6-aminonaphthalene-1,3-disulfonate (CID 2762591) is dipotassium;6-aminonaphthalene-1,3-disulfonate.
What is the SMILES notation for dipotassium;6-aminonaphthalene-1,3-disulfonate?
The canonical SMILES for dipotassium;6-aminonaphthalene-1,3-disulfonate is Nc1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2c1.[K+].[K+].
What is the InChIKey of dipotassium;6-aminonaphthalene-1,3-disulfonate?
The InChIKey is RXXREFZUDCKCOQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9NO6S2.2K/c11-7-1-2-9-6(3-7)4-8(18(12,13)14)5-10(9)19(15,16)17;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2.
What are the key properties of dipotassium;6-aminonaphthalene-1,3-disulfonate?
dipotassium;6-aminonaphthalene-1,3-disulfonate has a molecular weight of 379.50 g/mol, XLogP of -5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;6-aminonaphthalene-1,3-disulfonate is sourced from PubChem (CID 2762591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).