dipotassium;benzene-1,2,3,4-tetramine;3,6-dicarboxybenzene-1,2-diolate

C14H14K2N4O6 — CID 66739034

IUPACdipotassium;benzene-1,2,3,4-tetramine;3,6-dicarboxybenzene-1,2-diolate
SMILESNc1ccc(N)c(N)c1N.O=C(O)c1ccc(C(=O)O)c([O-])c1[O-].[K+].[K+]
InChIInChI=1S/C8H6O6.C6H10N4.2K/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14;7-3-1-2-4(8)6(10)5(3)9;;/h1-2,9-10H,(H,11,12)(H,13,14);1-2H,7-10H2;;/q;;2*+1/p-2
InChIKeyFXNSAHVFCAEFGU-UHFFFAOYSA-L
MW412.48 g/mol
LogP-6.75
Rot. Bonds2

About dipotassium;benzene-1,2,3,4-tetramine;3,6-dicarboxybenzene-1,2-diolate

dipotassium;benzene-1,2,3,4-tetramine;3,6-dicarboxybenzene-1,2-diolate (PubChem CID 66739034) has the molecular formula C14H14K2N4O6 and a molecular weight of 412.48 g/mol. Its IUPAC name is dipotassium;benzene-1,2,3,4-tetramine;3,6-dicarboxybenzene-1,2-diolate.

Molecular Properties

Compound Namedipotassium;benzene-1,2,3,4-tetramine;3,6-dicarboxybenzene-1,2-diolate
PubChem CID66739034
Molecular FormulaC14H14K2N4O6
Molecular Weight412.48 g/mol
Exact Mass412.02
IUPAC Namedipotassium;benzene-1,2,3,4-tetramine;3,6-dicarboxybenzene-1,2-diolate
SMILESNc1ccc(N)c(N)c1N.O=C(O)c1ccc(C(=O)O)c([O-])c1[O-].[K+].[K+]
InChIInChI=1S/C8H6O6.C6H10N4.2K/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14;7-3-1-2-4(8)6(10)5(3)9;;/h1-2,9-10H,(H,11,12)(H,13,14);1-2H,7-10H2;;/q;;2*+1/p-2
InChIKeyFXNSAHVFCAEFGU-UHFFFAOYSA-L
XLogP-6.75
TPSA224.80 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.48
LogP ≤ 5-6.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze dipotassium;benzene-1,2,3,4-tetramine;3,6-dicarboxybenzene-1,2-diolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-dicarboxybenzene-1,2-diolate;manganese(2+)
CID 67068164
3,4-diamino-2-chlorobenzoic acid
CID 154372958
3,4-diamino-2-(hydroxymethyl)benzoic acid
CID 163777335
2-amino-3-carboxy-6-methylphenolate
CID 54691710
3,4-diamino-2-phosphonobenzoic acid
CID 66809110
3,4-diamino-2-sulfobenzoic acid
CID 87161662
cesium 3-amino-4-carboxyphenolate
CID 23698247
2,3-diamino-6-methylsulfanylbenzoic acid
CID 133059678
4-amino-2,3-dicarbamoylbenzoic acid
CID 23168446
4-amino-3-chloro-2-hydroxybenzoic acid
CID 54442590
cesium 5-amino-2-carboxyphenolate
CID 23674816
bis(2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid);hydrate
CID 174768508

Frequently Asked Questions

What is the IUPAC name of dipotassium;benzene-1,2,3,4-tetramine;3,6-dicarboxybenzene-1,2-diolate?
The IUPAC name of dipotassium;benzene-1,2,3,4-tetramine;3,6-dicarboxybenzene-1,2-diolate (CID 66739034) is dipotassium;benzene-1,2,3,4-tetramine;3,6-dicarboxybenzene-1,2-diolate.
What is the SMILES notation for dipotassium;benzene-1,2,3,4-tetramine;3,6-dicarboxybenzene-1,2-diolate?
The canonical SMILES for dipotassium;benzene-1,2,3,4-tetramine;3,6-dicarboxybenzene-1,2-diolate is Nc1ccc(N)c(N)c1N.O=C(O)c1ccc(C(=O)O)c([O-])c1[O-].[K+].[K+].
What is the InChIKey of dipotassium;benzene-1,2,3,4-tetramine;3,6-dicarboxybenzene-1,2-diolate?
The InChIKey is FXNSAHVFCAEFGU-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H6O6.C6H10N4.2K/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14;7-3-1-2-4(8)6(10)5(3)9;;/h1-2,9-10H,(H,11,12)(H,13,14);1-2H,7-10H2;;/q;;2*+1/p-2.
What are the key properties of dipotassium;benzene-1,2,3,4-tetramine;3,6-dicarboxybenzene-1,2-diolate?
dipotassium;benzene-1,2,3,4-tetramine;3,6-dicarboxybenzene-1,2-diolate has a molecular weight of 412.48 g/mol, XLogP of -6.75, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;benzene-1,2,3,4-tetramine;3,6-dicarboxybenzene-1,2-diolate is sourced from PubChem (CID 66739034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).