CID 158150177

CaFeO4P — CID 158150177

IUPAC—
SMILESO=P([O-])([O-])[O-].[Ca].[Fe+3]
InChIInChI=1S/Ca.Fe.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q;+3;/p-3
InChIKeyFUZVFUVGBFZJLC-UHFFFAOYSA-K
MW190.89 g/mol
LogP-3.21
Rot. Bonds

About CID 158150177

CID 158150177 (PubChem CID 158150177) has the molecular formula CaFeO4P and a molecular weight of 190.89 g/mol.

Molecular Properties

Compound NameCID 158150177
PubChem CID158150177
Molecular FormulaCaFeO4P
Molecular Weight190.89 g/mol
Exact Mass190.85
IUPAC Name—
SMILESO=P([O-])([O-])[O-].[Ca].[Fe+3]
InChIInChI=1S/Ca.Fe.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q;+3;/p-3
InChIKeyFUZVFUVGBFZJLC-UHFFFAOYSA-K
XLogP-3.21
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.89
LogP ≤ 5-3.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3014757
heptasodium;phosphate
CID 159686031
phosphate octahydrate
CID 22485829
octadecaazanium;hexaphosphate
CID 158249396

Frequently Asked Questions

What is the IUPAC name of CID 158150177?
The IUPAC name of CID 158150177 (CID 158150177) is not available.
What is the SMILES notation for CID 158150177?
The canonical SMILES for CID 158150177 is O=P([O-])([O-])[O-].[Ca].[Fe+3].
What is the InChIKey of CID 158150177?
The InChIKey is FUZVFUVGBFZJLC-UHFFFAOYSA-K. The full InChI is InChI=1S/Ca.Fe.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q;+3;/p-3.
What are the key properties of CID 158150177?
CID 158150177 has a molecular weight of 190.89 g/mol, XLogP of -3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158150177 is sourced from PubChem (CID 158150177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).