tetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate

C10H22N4O10 — CID 139073121

IUPACtetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate
SMILESO.O.O=C([O-])c1cc(C(=O)[O-])c(C(=O)[O-])cc1C(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/C10H6O8.4H3N.2H2O/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;;;;;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*1H3;2*1H2
InChIKeyHIKJRMFZCVERFC-UHFFFAOYSA-N
MW358.30 g/mol
LogP-5.00
Rot. Bonds4

About tetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate

tetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate (PubChem CID 139073121) has the molecular formula C10H22N4O10 and a molecular weight of 358.30 g/mol. Its IUPAC name is tetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate.

Molecular Properties

Compound Nametetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate
PubChem CID139073121
Molecular FormulaC10H22N4O10
Molecular Weight358.30 g/mol
Exact Mass358.13
IUPAC Nametetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate
SMILESO.O.O=C([O-])c1cc(C(=O)[O-])c(C(=O)[O-])cc1C(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/C10H6O8.4H3N.2H2O/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;;;;;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*1H3;2*1H2
InChIKeyHIKJRMFZCVERFC-UHFFFAOYSA-N
XLogP-5.00
TPSA369.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 5-5.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

bis(benzene-1,2,4,5-tetracarboxylate);tetrakis(piperazine-1,4-diium);dodecahydrate
CID 139074442
sodium 2,4,5-tricarboxybenzoate
CID 100958061
bis(4,5-dicarboxyphthalate);zinc;tetrahydroxide
CID 5246120
tetraazanium;benzene-1,2,3,4-tetracarboxylate
CID 69282657
4,6-dioxidobenzene-1,3-dicarboxylate
CID 140752440
calcium naphthalene-2,3-dicarboxylate
CID 101297436
tripotassium;5-acetylbenzene-1,2,4-tricarboxylate;ethane
CID 176556714
4-fluorophthalate
CID 36688510
benzene;benzene-1,2,4-tricarboxylate
CID 19097982
dipotassium;4-methylphthalate
CID 140576906
2-(5,6-dicarboxylato-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole-5,6-dicarboxylate
CID 122210214
azulene-1,3-dicarboxylate
CID 140764257

Frequently Asked Questions

What is the IUPAC name of tetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate?
The IUPAC name of tetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate (CID 139073121) is tetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate.
What is the SMILES notation for tetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate?
The canonical SMILES for tetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate is O.O.O=C([O-])c1cc(C(=O)[O-])c(C(=O)[O-])cc1C(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+].
What is the InChIKey of tetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate?
The InChIKey is HIKJRMFZCVERFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O8.4H3N.2H2O/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;;;;;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*1H3;2*1H2.
What are the key properties of tetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate?
tetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate has a molecular weight of 358.30 g/mol, XLogP of -5.00, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate is sourced from PubChem (CID 139073121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).