magnesium;docosanoic acid;hydride;phosphoric acid

C22H49MgO6P — CID 174993463

IUPACmagnesium;docosanoic acid;hydride;phosphoric acid
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O.O=P(O)(O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C22H44O2.Mg.H3O4P.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;;1-5(2,3)4;;/h2-21H2,1H3,(H,23,24);;(H3,1,2,3,4);;/q;+2;;2*-1
InChIKeyCUQRLSFWJZEVKX-UHFFFAOYSA-N
MW464.91 g/mol
LogP6.81
Rot. Bonds20

About magnesium;docosanoic acid;hydride;phosphoric acid

magnesium;docosanoic acid;hydride;phosphoric acid (PubChem CID 174993463) has the molecular formula C22H49MgO6P and a molecular weight of 464.91 g/mol. Its IUPAC name is magnesium;docosanoic acid;hydride;phosphoric acid.

Molecular Properties

Compound Namemagnesium;docosanoic acid;hydride;phosphoric acid
PubChem CID174993463
Molecular FormulaC22H49MgO6P
Molecular Weight464.91 g/mol
Exact Mass464.31
IUPAC Namemagnesium;docosanoic acid;hydride;phosphoric acid
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O.O=P(O)(O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C22H44O2.Mg.H3O4P.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;;1-5(2,3)4;;/h2-21H2,1H3,(H,23,24);;(H3,1,2,3,4);;/q;+2;;2*-1
InChIKeyCUQRLSFWJZEVKX-UHFFFAOYSA-N
XLogP6.81
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.91
LogP ≤ 56.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

calcium;hexadecanoic acid;hydride;phosphoric acid
CID 175154653
trisodium;hexadecanoic acid;hydride;phosphoric acid
CID 175161401
octadecanoic acid;phosphoric acid
CID 160712069
dimagnesium;hydride;octadecanoic acid;tetradecanoic acid
CID 174909227
decamagnesium;hydride;bis(octadecanoic acid)
CID 173211528
undecamagnesium;pentakis(octadecanoic acid)
CID 173211480
nonamagnesium;pentadecakis(octadecanoic acid)
CID 173283309
disodium;hydride;icosanoic acid
CID 175560905
calcium;hydride;nonacosanoic acid
CID 173321722
disodium;hydride;tetradecanoic acid
CID 175149200
calcium;hydride;tritriacontanoic acid
CID 173321714
sodium;decanoic acid;hydride;tetradecanoic acid
CID 173314479

Frequently Asked Questions

What is the IUPAC name of magnesium;docosanoic acid;hydride;phosphoric acid?
The IUPAC name of magnesium;docosanoic acid;hydride;phosphoric acid (CID 174993463) is magnesium;docosanoic acid;hydride;phosphoric acid.
What is the SMILES notation for magnesium;docosanoic acid;hydride;phosphoric acid?
The canonical SMILES for magnesium;docosanoic acid;hydride;phosphoric acid is CCCCCCCCCCCCCCCCCCCCCC(=O)O.O=P(O)(O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;docosanoic acid;hydride;phosphoric acid?
The InChIKey is CUQRLSFWJZEVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2.Mg.H3O4P.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;;1-5(2,3)4;;/h2-21H2,1H3,(H,23,24);;(H3,1,2,3,4);;/q;+2;;2*-1.
What are the key properties of magnesium;docosanoic acid;hydride;phosphoric acid?
magnesium;docosanoic acid;hydride;phosphoric acid has a molecular weight of 464.91 g/mol, XLogP of 6.81, 20 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;docosanoic acid;hydride;phosphoric acid is sourced from PubChem (CID 174993463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).