sodium;vanadium;trisulfate;hydrate

H2NaO13S3V-5 — CID 158094000

IUPACsodium;vanadium;trisulfate;hydrate
SMILESO.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Na+].[V]
InChIInChI=1S/Na.3H2O4S.H2O.V/c;3*1-5(2,3)4;;/h;3*(H2,1,2,3,4);1H2;/q+1;;;;;/p-6
InChIKeyVLTIWTYROBBYGZ-UHFFFAOYSA-H
MW380.14 g/mol
LogP-7.84
Rot. Bonds

About sodium;vanadium;trisulfate;hydrate

sodium;vanadium;trisulfate;hydrate (PubChem CID 158094000) has the molecular formula H2NaO13S3V-5 and a molecular weight of 380.14 g/mol. Its IUPAC name is sodium;vanadium;trisulfate;hydrate.

Molecular Properties

Compound Namesodium;vanadium;trisulfate;hydrate
PubChem CID158094000
Molecular FormulaH2NaO13S3V-5
Molecular Weight380.14 g/mol
Exact Mass379.80
IUPAC Namesodium;vanadium;trisulfate;hydrate
SMILESO.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Na+].[V]
InChIInChI=1S/Na.3H2O4S.H2O.V/c;3*1-5(2,3)4;;/h;3*(H2,1,2,3,4);1H2;/q+1;;;;;/p-6
InChIKeyVLTIWTYROBBYGZ-UHFFFAOYSA-H
XLogP-7.84
TPSA272.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.14
LogP ≤ 5-7.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

sodium;sulfate;heptahydrate
CID 18522796
disodium;disulfate;hydrate
CID 20976610
CID 57377209
CID 57377209
sulfate trihydrate
CID 22613957
tris(vanadium);pentasulfate
CID 173042063
tris(ytterbium(3+));disulfate;octahydrate
CID 131676103
manganese(2+);bis(vanadium);hexasulfate
CID 173120869
copper;tetrasodium;trisulfate
CID 158226440
trisodium;bromide;sulfate
CID 173076247
bis(iron(3+));trisulfate;tetrahydrate
CID 138961463
bis(iron(3+));trisulfate;henicosahydrate
CID 173056972
dialuminum;trisulfate;dotriacontahydrate
CID 172707347

Frequently Asked Questions

What is the IUPAC name of sodium;vanadium;trisulfate;hydrate?
The IUPAC name of sodium;vanadium;trisulfate;hydrate (CID 158094000) is sodium;vanadium;trisulfate;hydrate.
What is the SMILES notation for sodium;vanadium;trisulfate;hydrate?
The canonical SMILES for sodium;vanadium;trisulfate;hydrate is O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Na+].[V].
What is the InChIKey of sodium;vanadium;trisulfate;hydrate?
The InChIKey is VLTIWTYROBBYGZ-UHFFFAOYSA-H. The full InChI is InChI=1S/Na.3H2O4S.H2O.V/c;3*1-5(2,3)4;;/h;3*(H2,1,2,3,4);1H2;/q+1;;;;;/p-6.
What are the key properties of sodium;vanadium;trisulfate;hydrate?
sodium;vanadium;trisulfate;hydrate has a molecular weight of 380.14 g/mol, XLogP of -7.84, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;vanadium;trisulfate;hydrate is sourced from PubChem (CID 158094000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).