dicalcium;magnesium;hydride;phosphoric acid;sulfuric acid

H11Ca2MgO8PS — CID 174825313

IUPACdicalcium;magnesium;hydride;phosphoric acid;sulfuric acid
SMILESO=P(O)(O)O.O=S(=O)(O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/2Ca.Mg.H3O4P.H2O4S.6H/c;;;2*1-5(2,3)4;;;;;;/h;;;(H3,1,2,3,4);(H2,1,2,3,4);;;;;;/q3*+2;;;6*-1
InChIKeyHONLXCFZWFMNEE-UHFFFAOYSA-N
MW306.58 g/mol
LogP-2.05
Rot. Bonds

About dicalcium;magnesium;hydride;phosphoric acid;sulfuric acid

dicalcium;magnesium;hydride;phosphoric acid;sulfuric acid (PubChem CID 174825313) has the molecular formula H11Ca2MgO8PS and a molecular weight of 306.58 g/mol. Its IUPAC name is dicalcium;magnesium;hydride;phosphoric acid;sulfuric acid.

Molecular Properties

Compound Namedicalcium;magnesium;hydride;phosphoric acid;sulfuric acid
PubChem CID174825313
Molecular FormulaH11Ca2MgO8PS
Molecular Weight306.58 g/mol
Exact Mass305.90
IUPAC Namedicalcium;magnesium;hydride;phosphoric acid;sulfuric acid
SMILESO=P(O)(O)O.O=S(=O)(O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/2Ca.Mg.H3O4P.H2O4S.6H/c;;;2*1-5(2,3)4;;;;;;/h;;;(H3,1,2,3,4);(H2,1,2,3,4);;;;;;/q3*+2;;;6*-1
InChIKeyHONLXCFZWFMNEE-UHFFFAOYSA-N
XLogP-2.05
TPSA152.36 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.58
LogP ≤ 5-2.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 173395945
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CID 173414415
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undecacalcium;hydride;phosphoric acid
CID 173326872
magnesium;hydride;phosphoric acid
CID 172995395
tetralithium;hydride;phosphoric acid
CID 173293276
magnesium;hydride;phosphoric acid
CID 173011146
boric acid;phosphoric acid;sulfuric acid
CID 159985541
phosphoric acid;phosphorous acid;sulfuric acid
CID 157192236
calcium;lithium;hydride;phosphoric acid;dichloride;hydrate
CID 175140706

Frequently Asked Questions

What is the IUPAC name of dicalcium;magnesium;hydride;phosphoric acid;sulfuric acid?
The IUPAC name of dicalcium;magnesium;hydride;phosphoric acid;sulfuric acid (CID 174825313) is dicalcium;magnesium;hydride;phosphoric acid;sulfuric acid.
What is the SMILES notation for dicalcium;magnesium;hydride;phosphoric acid;sulfuric acid?
The canonical SMILES for dicalcium;magnesium;hydride;phosphoric acid;sulfuric acid is O=P(O)(O)O.O=S(=O)(O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].
What is the InChIKey of dicalcium;magnesium;hydride;phosphoric acid;sulfuric acid?
The InChIKey is HONLXCFZWFMNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/2Ca.Mg.H3O4P.H2O4S.6H/c;;;2*1-5(2,3)4;;;;;;/h;;;(H3,1,2,3,4);(H2,1,2,3,4);;;;;;/q3*+2;;;6*-1.
What are the key properties of dicalcium;magnesium;hydride;phosphoric acid;sulfuric acid?
dicalcium;magnesium;hydride;phosphoric acid;sulfuric acid has a molecular weight of 306.58 g/mol, XLogP of -2.05, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;magnesium;hydride;phosphoric acid;sulfuric acid is sourced from PubChem (CID 174825313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).