butane;lanthanum(3+);phosphate

C4H10LaO4P — CID 118953489

IUPACbutane;lanthanum(3+);phosphate
SMILESCCCC.O=P([O-])([O-])[O-].[La+3]
InChIInChI=1S/C4H10.La.H3O4P/c1-3-4-2;;1-5(2,3)4/h3-4H2,1-2H3;;(H3,1,2,3,4)/q;+3;/p-3
InChIKeyIMDVWYKYAYCGKE-UHFFFAOYSA-K
MW292.00 g/mol
LogP-1.02
Rot. Bonds1

About butane;lanthanum(3+);phosphate

butane;lanthanum(3+);phosphate (PubChem CID 118953489) has the molecular formula C4H10LaO4P and a molecular weight of 292.00 g/mol. Its IUPAC name is butane;lanthanum(3+);phosphate.

Molecular Properties

Compound Namebutane;lanthanum(3+);phosphate
PubChem CID118953489
Molecular FormulaC4H10LaO4P
Molecular Weight292.00 g/mol
Exact Mass291.94
IUPAC Namebutane;lanthanum(3+);phosphate
SMILESCCCC.O=P([O-])([O-])[O-].[La+3]
InChIInChI=1S/C4H10.La.H3O4P/c1-3-4-2;;1-5(2,3)4/h3-4H2,1-2H3;;(H3,1,2,3,4)/q;+3;/p-3
InChIKeyIMDVWYKYAYCGKE-UHFFFAOYSA-K
XLogP-1.02
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.00
LogP ≤ 5-1.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butane;lanthanum(3+);phosphate?
The IUPAC name of butane;lanthanum(3+);phosphate (CID 118953489) is butane;lanthanum(3+);phosphate.
What is the SMILES notation for butane;lanthanum(3+);phosphate?
The canonical SMILES for butane;lanthanum(3+);phosphate is CCCC.O=P([O-])([O-])[O-].[La+3].
What is the InChIKey of butane;lanthanum(3+);phosphate?
The InChIKey is IMDVWYKYAYCGKE-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H10.La.H3O4P/c1-3-4-2;;1-5(2,3)4/h3-4H2,1-2H3;;(H3,1,2,3,4)/q;+3;/p-3.
What are the key properties of butane;lanthanum(3+);phosphate?
butane;lanthanum(3+);phosphate has a molecular weight of 292.00 g/mol, XLogP of -1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;lanthanum(3+);phosphate is sourced from PubChem (CID 118953489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).