CID 173141740

H9Al4O24P12+9 — CID 173141740

IUPAC—
SMILESO=PO.O=PO.O=PO.O=PO.O=PO.O=PO.O=PO.O=PO.O=PO.O=P[O-].O=P[O-].O=P[O-].[Al+3].[Al+3].[Al+3].[Al+3]
InChIInChI=1S/4Al.12HO2P/c;;;;12*1-3-2/h;;;;12*(H,1,2)/q4*+3;;;;;;;;;;;;/p-3
InChIKeyZQRZWYGKCMAQBH-UHFFFAOYSA-K
MW872.66 g/mol
LogP-1.19
Rot. Bonds

About CID 173141740

CID 173141740 (PubChem CID 173141740) has the molecular formula H9Al4O24P12+9 and a molecular weight of 872.66 g/mol.

Molecular Properties

Compound NameCID 173141740
PubChem CID173141740
Molecular FormulaH9Al4O24P12+9
Molecular Weight872.66 g/mol
Exact Mass872.55
IUPAC Name—
SMILESO=PO.O=PO.O=PO.O=PO.O=PO.O=PO.O=PO.O=PO.O=PO.O=P[O-].O=P[O-].O=P[O-].[Al+3].[Al+3].[Al+3].[Al+3]
InChIInChI=1S/4Al.12HO2P/c;;;;12*1-3-2/h;;;;12*(H,1,2)/q4*+3;;;;;;;;;;;;/p-3
InChIKeyZQRZWYGKCMAQBH-UHFFFAOYSA-K
XLogP-1.19
TPSA456.09 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500872.66
LogP ≤ 5-1.19
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

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 CID 173141740?
The IUPAC name of CID 173141740 (CID 173141740) is not available.
What is the SMILES notation for CID 173141740?
The canonical SMILES for CID 173141740 is O=PO.O=PO.O=PO.O=PO.O=PO.O=PO.O=PO.O=PO.O=PO.O=P[O-].O=P[O-].O=P[O-].[Al+3].[Al+3].[Al+3].[Al+3].
What is the InChIKey of CID 173141740?
The InChIKey is ZQRZWYGKCMAQBH-UHFFFAOYSA-K. The full InChI is InChI=1S/4Al.12HO2P/c;;;;12*1-3-2/h;;;;12*(H,1,2)/q4*+3;;;;;;;;;;;;/p-3.
What are the key properties of CID 173141740?
CID 173141740 has a molecular weight of 872.66 g/mol, XLogP of -1.19, 0 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173141740 is sourced from PubChem (CID 173141740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).