calcium;vanadium;sulfate

CaO4SV — CID 158688101

IUPACcalcium;vanadium;sulfate
SMILESO=S(=O)([O-])[O-].[Ca+2].[V]
InChIInChI=1S/Ca.H2O4S.V/c;1-5(2,3)4;/h;(H2,1,2,3,4);/q+2;;/p-2
InChIKeyCSIGQSUYJXDQFT-UHFFFAOYSA-L
MW187.08 g/mol
LogP-1.72
Rot. Bonds

About calcium;vanadium;sulfate

calcium;vanadium;sulfate (PubChem CID 158688101) has the molecular formula CaO4SV and a molecular weight of 187.08 g/mol. Its IUPAC name is calcium;vanadium;sulfate.

Molecular Properties

Compound Namecalcium;vanadium;sulfate
PubChem CID158688101
Molecular FormulaCaO4SV
Molecular Weight187.08 g/mol
Exact Mass186.86
IUPAC Namecalcium;vanadium;sulfate
SMILESO=S(=O)([O-])[O-].[Ca+2].[V]
InChIInChI=1S/Ca.H2O4S.V/c;1-5(2,3)4;/h;(H2,1,2,3,4);/q+2;;/p-2
InChIKeyCSIGQSUYJXDQFT-UHFFFAOYSA-L
XLogP-1.72
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.08
LogP ≤ 5-1.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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dicalcium;hydroxide;sulfate;hydrate
CID 160810730
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Frequently Asked Questions

What is the IUPAC name of calcium;vanadium;sulfate?
The IUPAC name of calcium;vanadium;sulfate (CID 158688101) is calcium;vanadium;sulfate.
What is the SMILES notation for calcium;vanadium;sulfate?
The canonical SMILES for calcium;vanadium;sulfate is O=S(=O)([O-])[O-].[Ca+2].[V].
What is the InChIKey of calcium;vanadium;sulfate?
The InChIKey is CSIGQSUYJXDQFT-UHFFFAOYSA-L. The full InChI is InChI=1S/Ca.H2O4S.V/c;1-5(2,3)4;/h;(H2,1,2,3,4);/q+2;;/p-2.
What are the key properties of calcium;vanadium;sulfate?
calcium;vanadium;sulfate has a molecular weight of 187.08 g/mol, XLogP of -1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;vanadium;sulfate is sourced from PubChem (CID 158688101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).