CID 71347627

H3AlO6PZn-2 — CID 71347627

IUPAC—
SMILESO.O=P([O-])([O-])[O-].[Al].[OH-].[Zn+2]
InChIInChI=1S/Al.H3O4P.2H2O.Zn/c;1-5(2,3)4;;;/h;(H3,1,2,3,4);2*1H2;/q;;;;+2/p-4
InChIKeyLBACJZBOGLWFFI-UHFFFAOYSA-J
MW222.36 g/mol
LogP-4.21
Rot. Bonds

About CID 71347627

CID 71347627 (PubChem CID 71347627) has the molecular formula H3AlO6PZn-2 and a molecular weight of 222.36 g/mol.

Molecular Properties

Compound NameCID 71347627
PubChem CID71347627
Molecular FormulaH3AlO6PZn-2
Molecular Weight222.36 g/mol
Exact Mass220.88
IUPAC Name—
SMILESO.O=P([O-])([O-])[O-].[Al].[OH-].[Zn+2]
InChIInChI=1S/Al.H3O4P.2H2O.Zn/c;1-5(2,3)4;;;/h;(H3,1,2,3,4);2*1H2;/q;;;;+2/p-4
InChIKeyLBACJZBOGLWFFI-UHFFFAOYSA-J
XLogP-4.21
TPSA147.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 5-4.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 86747219
CID 86747219

Frequently Asked Questions

What is the IUPAC name of CID 71347627?
The IUPAC name of CID 71347627 (CID 71347627) is not available.
What is the SMILES notation for CID 71347627?
The canonical SMILES for CID 71347627 is O.O=P([O-])([O-])[O-].[Al].[OH-].[Zn+2].
What is the InChIKey of CID 71347627?
The InChIKey is LBACJZBOGLWFFI-UHFFFAOYSA-J. The full InChI is InChI=1S/Al.H3O4P.2H2O.Zn/c;1-5(2,3)4;;;/h;(H3,1,2,3,4);2*1H2;/q;;;;+2/p-4.
What are the key properties of CID 71347627?
CID 71347627 has a molecular weight of 222.36 g/mol, XLogP of -4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71347627 is sourced from PubChem (CID 71347627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).