magnesium (6-oxophenalen-1-yl) phosphate

C13H7MgO5P — CID 21276038

IUPACmagnesium (6-oxophenalen-1-yl) phosphate
SMILESO=C1C=Cc2ccc(OP(=O)([O-])[O-])c3cccc1c23.[Mg+2]
InChIInChI=1S/C13H9O5P.Mg/c14-11-6-4-8-5-7-12(18-19(15,16)17)10-3-1-2-9(11)13(8)10;/h1-7H,(H2,15,16,17);/q;+2/p-2
InChIKeyLJSDITOGTCSCSD-UHFFFAOYSA-L
MW298.47 g/mol
LogP0.88
Rot. Bonds2

About magnesium (6-oxophenalen-1-yl) phosphate

magnesium (6-oxophenalen-1-yl) phosphate (PubChem CID 21276038) has the molecular formula C13H7MgO5P and a molecular weight of 298.47 g/mol. Its IUPAC name is magnesium (6-oxophenalen-1-yl) phosphate.

Molecular Properties

Compound Namemagnesium (6-oxophenalen-1-yl) phosphate
PubChem CID21276038
Molecular FormulaC13H7MgO5P
Molecular Weight298.47 g/mol
Exact Mass297.99
IUPAC Namemagnesium (6-oxophenalen-1-yl) phosphate
SMILESO=C1C=Cc2ccc(OP(=O)([O-])[O-])c3cccc1c23.[Mg+2]
InChIInChI=1S/C13H9O5P.Mg/c14-11-6-4-8-5-7-12(18-19(15,16)17)10-3-1-2-9(11)13(8)10;/h1-7H,(H2,15,16,17);/q;+2/p-2
InChIKeyLJSDITOGTCSCSD-UHFFFAOYSA-L
XLogP0.88
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (6-oxophenalen-1-yl) phosphate?
The IUPAC name of magnesium (6-oxophenalen-1-yl) phosphate (CID 21276038) is magnesium (6-oxophenalen-1-yl) phosphate.
What is the SMILES notation for magnesium (6-oxophenalen-1-yl) phosphate?
The canonical SMILES for magnesium (6-oxophenalen-1-yl) phosphate is O=C1C=Cc2ccc(OP(=O)([O-])[O-])c3cccc1c23.[Mg+2].
What is the InChIKey of magnesium (6-oxophenalen-1-yl) phosphate?
The InChIKey is LJSDITOGTCSCSD-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9O5P.Mg/c14-11-6-4-8-5-7-12(18-19(15,16)17)10-3-1-2-9(11)13(8)10;/h1-7H,(H2,15,16,17);/q;+2/p-2.
What are the key properties of magnesium (6-oxophenalen-1-yl) phosphate?
magnesium (6-oxophenalen-1-yl) phosphate has a molecular weight of 298.47 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium (6-oxophenalen-1-yl) phosphate is sourced from PubChem (CID 21276038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).