CID 173005554

H4Al2La2O5Sr2Ta2 — CID 173005554

IUPAC—
SMILES[Al].[Al].[H-].[H-].[H-].[H-].[La].[La].[O-2].[O-2].[O-2].[O-2].[O-2].[Sr+2].[Sr+2].[Ta+5].[Ta+5]
InChIInChI=1S/2Al.2La.5O.2Sr.2Ta.4H/q;;;;5*-2;2*+2;2*+5;4*-1
InChIKeyQAILFKGKNWQZSO-UHFFFAOYSA-N
MW952.94 g/mol
LogP-1.67
Rot. Bonds

About CID 173005554

CID 173005554 (PubChem CID 173005554) has the molecular formula H4Al2La2O5Sr2Ta2 and a molecular weight of 952.94 g/mol.

Molecular Properties

Compound NameCID 173005554
PubChem CID173005554
Molecular FormulaH4Al2La2O5Sr2Ta2
Molecular Weight952.94 g/mol
Exact Mass953.49
IUPAC Name—
SMILES[Al].[Al].[H-].[H-].[H-].[H-].[La].[La].[O-2].[O-2].[O-2].[O-2].[O-2].[Sr+2].[Sr+2].[Ta+5].[Ta+5]
InChIInChI=1S/2Al.2La.5O.2Sr.2Ta.4H/q;;;;5*-2;2*+2;2*+5;4*-1
InChIKeyQAILFKGKNWQZSO-UHFFFAOYSA-N
XLogP-1.67
TPSA142.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500952.94
LogP ≤ 5-1.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 173005554?
The IUPAC name of CID 173005554 (CID 173005554) is not available.
What is the SMILES notation for CID 173005554?
The canonical SMILES for CID 173005554 is [Al].[Al].[H-].[H-].[H-].[H-].[La].[La].[O-2].[O-2].[O-2].[O-2].[O-2].[Sr+2].[Sr+2].[Ta+5].[Ta+5].
What is the InChIKey of CID 173005554?
The InChIKey is QAILFKGKNWQZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2Al.2La.5O.2Sr.2Ta.4H/q;;;;5*-2;2*+2;2*+5;4*-1.
What are the key properties of CID 173005554?
CID 173005554 has a molecular weight of 952.94 g/mol, XLogP of -1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173005554 is sourced from PubChem (CID 173005554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).