sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium

C14H14N2NaO7V+ — CID 54604130

IUPACsodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium
SMILESNc1ccc(C(=O)O)c(O)c1.Nc1ccc(C(=O)O)c(O)c1.O=[V].[Na+]
InChIInChI=1S/2C7H7NO3.Na.O.V/c2*8-4-1-2-5(7(10)11)6(9)3-4;;;/h2*1-3,9H,8H2,(H,10,11);;;/q;;+1;;
InChIKeyJLHZBIRWPMYPIV-UHFFFAOYSA-N
MW396.21 g/mol
LogP-1.77
Rot. Bonds2

About sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium

sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium (PubChem CID 54604130) has the molecular formula C14H14N2NaO7V+ and a molecular weight of 396.21 g/mol. Its IUPAC name is sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium.

Molecular Properties

Compound Namesodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium
PubChem CID54604130
Molecular FormulaC14H14N2NaO7V+
Molecular Weight396.21 g/mol
Exact Mass396.01
IUPAC Namesodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium
SMILESNc1ccc(C(=O)O)c(O)c1.Nc1ccc(C(=O)O)c(O)c1.O=[V].[Na+]
InChIInChI=1S/2C7H7NO3.Na.O.V/c2*8-4-1-2-5(7(10)11)6(9)3-4;;;/h2*1-3,9H,8H2,(H,10,11);;;/q;;+1;;
InChIKeyJLHZBIRWPMYPIV-UHFFFAOYSA-N
XLogP-1.77
TPSA184.17 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.21
LogP ≤ 5-1.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-hydroxybenzoic acid;dihydrochloride
CID 140557780
lithium;4-amino-2-hydroxybenzoic acid;hydride
CID 173041117
CID 131855870
CID 131855870
4-amino-2-hydroxybenzoic acid;carbamic acid
CID 67980024
bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine
CID 139146382
4-amino-2-hydroxybenzoic acid;oxolane
CID 174957133
4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid
CID 57080181
4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid
CID 54364627
4-(3-aminophenyl)-2-hydroxybenzoic acid
CID 53224908
4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid
CID 22096985
5-amino-2-hydroxybenzoic acid;methanol
CID 143451983
dipotassium;5-amino-2-hydroxybenzoic acid;hydride
CID 173393378

Frequently Asked Questions

What is the IUPAC name of sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium?
The IUPAC name of sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium (CID 54604130) is sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium.
What is the SMILES notation for sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium?
The canonical SMILES for sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium is Nc1ccc(C(=O)O)c(O)c1.Nc1ccc(C(=O)O)c(O)c1.O=[V].[Na+].
What is the InChIKey of sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium?
The InChIKey is JLHZBIRWPMYPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7NO3.Na.O.V/c2*8-4-1-2-5(7(10)11)6(9)3-4;;;/h2*1-3,9H,8H2,(H,10,11);;;/q;;+1;;.
What are the key properties of sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium?
sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium has a molecular weight of 396.21 g/mol, XLogP of -1.77, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium is sourced from PubChem (CID 54604130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).