calcium;lanthanum(3+);borate;hydrate

H2BCaLaO4+2 — CID 172832291

IUPACcalcium;lanthanum(3+);borate;hydrate
SMILESO.[Ca+2].[La+3].[O-]B([O-])[O-]
InChIInChI=1S/BO3.Ca.La.H2O/c2-1(3)4;;;/h;;;1H2/q-3;+2;+3;
InChIKeyVRCSBJGSXBVGPV-UHFFFAOYSA-N
MW255.81 g/mol
LogP-5.15
Rot. Bonds

About calcium;lanthanum(3+);borate;hydrate

calcium;lanthanum(3+);borate;hydrate (PubChem CID 172832291) has the molecular formula H2BCaLaO4+2 and a molecular weight of 255.81 g/mol. Its IUPAC name is calcium;lanthanum(3+);borate;hydrate.

Molecular Properties

Compound Namecalcium;lanthanum(3+);borate;hydrate
PubChem CID172832291
Molecular FormulaH2BCaLaO4+2
Molecular Weight255.81 g/mol
Exact Mass255.87
IUPAC Namecalcium;lanthanum(3+);borate;hydrate
SMILESO.[Ca+2].[La+3].[O-]B([O-])[O-]
InChIInChI=1S/BO3.Ca.La.H2O/c2-1(3)4;;;/h;;;1H2/q-3;+2;+3;
InChIKeyVRCSBJGSXBVGPV-UHFFFAOYSA-N
XLogP-5.15
TPSA100.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 5-5.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tetraborate;pentahydrate
CID 18463322
trisodium;borate;trihydrate
CID 141011813
pentaazanium;pentaborate;octahydrate
CID 57347063
calcium;lithium;borate
CID 139040925
dodecasodium;tetraborate;decahydrate
CID 86618040
tris(barium(2+));diborate;dihydrate
CID 157172386
nonacalcium;pentalithium;heptaborate;difluoride
CID 139139491
magnesium;sodium;borate;hydrate
CID 173077041
dibismuth diborate
CID 159089298
trisulfanium;borate
CID 22561123
dialuminum diborate
CID 22359065
tetrakis(ytterbium(3+));tetraborate
CID 158376786

Frequently Asked Questions

What is the IUPAC name of calcium;lanthanum(3+);borate;hydrate?
The IUPAC name of calcium;lanthanum(3+);borate;hydrate (CID 172832291) is calcium;lanthanum(3+);borate;hydrate.
What is the SMILES notation for calcium;lanthanum(3+);borate;hydrate?
The canonical SMILES for calcium;lanthanum(3+);borate;hydrate is O.[Ca+2].[La+3].[O-]B([O-])[O-].
What is the InChIKey of calcium;lanthanum(3+);borate;hydrate?
The InChIKey is VRCSBJGSXBVGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/BO3.Ca.La.H2O/c2-1(3)4;;;/h;;;1H2/q-3;+2;+3;.
What are the key properties of calcium;lanthanum(3+);borate;hydrate?
calcium;lanthanum(3+);borate;hydrate has a molecular weight of 255.81 g/mol, XLogP of -5.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;lanthanum(3+);borate;hydrate is sourced from PubChem (CID 172832291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).