magnesium propyl phosphate

C3H7MgO4P — CID 87616783

IUPACmagnesium propyl phosphate
SMILESCCCOP(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/C3H9O4P.Mg/c1-2-3-7-8(4,5)6;/h2-3H2,1H3,(H2,4,5,6);/q;+2/p-2
InChIKeyWMVFBNQHLFNHRA-UHFFFAOYSA-L
MW162.36 g/mol
LogP-1.14
Rot. Bonds3

About magnesium propyl phosphate

magnesium propyl phosphate (PubChem CID 87616783) has the molecular formula C3H7MgO4P and a molecular weight of 162.36 g/mol. Its IUPAC name is magnesium propyl phosphate.

Molecular Properties

Compound Namemagnesium propyl phosphate
PubChem CID87616783
Molecular FormulaC3H7MgO4P
Molecular Weight162.36 g/mol
Exact Mass161.99
IUPAC Namemagnesium propyl phosphate
SMILESCCCOP(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/C3H9O4P.Mg/c1-2-3-7-8(4,5)6;/h2-3H2,1H3,(H2,4,5,6);/q;+2/p-2
InChIKeyWMVFBNQHLFNHRA-UHFFFAOYSA-L
XLogP-1.14
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.36
LogP ≤ 5-1.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium propyl phosphate?
The IUPAC name of magnesium propyl phosphate (CID 87616783) is magnesium propyl phosphate.
What is the SMILES notation for magnesium propyl phosphate?
The canonical SMILES for magnesium propyl phosphate is CCCOP(=O)([O-])[O-].[Mg+2].
What is the InChIKey of magnesium propyl phosphate?
The InChIKey is WMVFBNQHLFNHRA-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H9O4P.Mg/c1-2-3-7-8(4,5)6;/h2-3H2,1H3,(H2,4,5,6);/q;+2/p-2.
What are the key properties of magnesium propyl phosphate?
magnesium propyl phosphate has a molecular weight of 162.36 g/mol, XLogP of -1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium propyl phosphate is sourced from PubChem (CID 87616783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).