calcium;magnesium;hydride;hydrogen phosphate;hydron;octadecanoate

C18H39CaMgO6P — CID 173039470

IUPACcalcium;magnesium;hydride;hydrogen phosphate;hydron;octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].O=P([O-])([O-])O.[Ca+2].[H+].[H-].[H-].[Mg+2]
InChIInChI=1S/C18H36O2.Ca.Mg.H3O4P.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;1-5(2,3)4;;/h2-17H2,1H3,(H,19,20);;;(H3,1,2,3,4);;/q;2*+2;;2*-1/p-2
InChIKeyOUIVUXKDGZTXPQ-UHFFFAOYSA-L
MW446.86 g/mol
LogP2.38
Rot. Bonds16

About calcium;magnesium;hydride;hydrogen phosphate;hydron;octadecanoate

calcium;magnesium;hydride;hydrogen phosphate;hydron;octadecanoate (PubChem CID 173039470) has the molecular formula C18H39CaMgO6P and a molecular weight of 446.86 g/mol. Its IUPAC name is calcium;magnesium;hydride;hydrogen phosphate;hydron;octadecanoate.

Molecular Properties

Compound Namecalcium;magnesium;hydride;hydrogen phosphate;hydron;octadecanoate
PubChem CID173039470
Molecular FormulaC18H39CaMgO6P
Molecular Weight446.86 g/mol
Exact Mass446.20
IUPAC Namecalcium;magnesium;hydride;hydrogen phosphate;hydron;octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].O=P([O-])([O-])O.[Ca+2].[H+].[H-].[H-].[Mg+2]
InChIInChI=1S/C18H36O2.Ca.Mg.H3O4P.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;1-5(2,3)4;;/h2-17H2,1H3,(H,19,20);;;(H3,1,2,3,4);;/q;2*+2;;2*-1/p-2
InChIKeyOUIVUXKDGZTXPQ-UHFFFAOYSA-L
XLogP2.38
TPSA123.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.86
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

tricalcium;magnesium;bis(octadecanoate);diphosphate
CID 173089489
tetraaluminum;tris(nonanoate);triphosphate
CID 173332863
calcium;hexadecanoate;octadecanoate
CID 22065418
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
magnesium bis(undecanoate)
CID 87902169
hexakis(hexadecanoate);molybdenum
CID 173268111
dimagnesium;tetrakis(octanoate)
CID 160745729
trimagnesium;tris(octadecanoate)
CID 159626374
dimagnesium bis(octadecanoate)
CID 19043233
disodium;hexadecanoate;hydride
CID 175497394
magnesium;octanoate;chloride
CID 172837629

Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;hydride;hydrogen phosphate;hydron;octadecanoate?
The IUPAC name of calcium;magnesium;hydride;hydrogen phosphate;hydron;octadecanoate (CID 173039470) is calcium;magnesium;hydride;hydrogen phosphate;hydron;octadecanoate.
What is the SMILES notation for calcium;magnesium;hydride;hydrogen phosphate;hydron;octadecanoate?
The canonical SMILES for calcium;magnesium;hydride;hydrogen phosphate;hydron;octadecanoate is CCCCCCCCCCCCCCCCCC(=O)[O-].O=P([O-])([O-])O.[Ca+2].[H+].[H-].[H-].[Mg+2].
What is the InChIKey of calcium;magnesium;hydride;hydrogen phosphate;hydron;octadecanoate?
The InChIKey is OUIVUXKDGZTXPQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H36O2.Ca.Mg.H3O4P.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;1-5(2,3)4;;/h2-17H2,1H3,(H,19,20);;;(H3,1,2,3,4);;/q;2*+2;;2*-1/p-2.
What are the key properties of calcium;magnesium;hydride;hydrogen phosphate;hydron;octadecanoate?
calcium;magnesium;hydride;hydrogen phosphate;hydron;octadecanoate has a molecular weight of 446.86 g/mol, XLogP of 2.38, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;hydride;hydrogen phosphate;hydron;octadecanoate is sourced from PubChem (CID 173039470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).