calcium;alumane;hydride;phosphoric acid;hydrate

H10AlCaO5P — CID 173289470

IUPACcalcium;alumane;hydride;phosphoric acid;hydrate
SMILESO.O=P(O)(O)O.[AlH3].[Ca+2].[H-].[H-]
InChIInChI=1S/Al.Ca.H3O4P.H2O.5H/c;;1-5(2,3)4;;;;;;/h;;(H3,1,2,3,4);1H2;;;;;/q;+2;;;;;;2*-1
InChIKeyRXBYBQNVMFYXEN-UHFFFAOYSA-N
MW188.11 g/mol
LogP-3.09
Rot. Bonds

About calcium;alumane;hydride;phosphoric acid;hydrate

calcium;alumane;hydride;phosphoric acid;hydrate (PubChem CID 173289470) has the molecular formula H10AlCaO5P and a molecular weight of 188.11 g/mol. Its IUPAC name is calcium;alumane;hydride;phosphoric acid;hydrate.

Molecular Properties

Compound Namecalcium;alumane;hydride;phosphoric acid;hydrate
PubChem CID173289470
Molecular FormulaH10AlCaO5P
Molecular Weight188.11 g/mol
Exact Mass187.97
IUPAC Namecalcium;alumane;hydride;phosphoric acid;hydrate
SMILESO.O=P(O)(O)O.[AlH3].[Ca+2].[H-].[H-]
InChIInChI=1S/Al.Ca.H3O4P.H2O.5H/c;;1-5(2,3)4;;;;;;/h;;(H3,1,2,3,4);1H2;;;;;/q;+2;;;;;;2*-1
InChIKeyRXBYBQNVMFYXEN-UHFFFAOYSA-N
XLogP-3.09
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 5-3.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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tetrasodium;hydride;phosphoric acid;decahydrate
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potassium;hydride;phosphoric acid;hydrate
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Frequently Asked Questions

What is the IUPAC name of calcium;alumane;hydride;phosphoric acid;hydrate?
The IUPAC name of calcium;alumane;hydride;phosphoric acid;hydrate (CID 173289470) is calcium;alumane;hydride;phosphoric acid;hydrate.
What is the SMILES notation for calcium;alumane;hydride;phosphoric acid;hydrate?
The canonical SMILES for calcium;alumane;hydride;phosphoric acid;hydrate is O.O=P(O)(O)O.[AlH3].[Ca+2].[H-].[H-].
What is the InChIKey of calcium;alumane;hydride;phosphoric acid;hydrate?
The InChIKey is RXBYBQNVMFYXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.H3O4P.H2O.5H/c;;1-5(2,3)4;;;;;;/h;;(H3,1,2,3,4);1H2;;;;;/q;+2;;;;;;2*-1.
What are the key properties of calcium;alumane;hydride;phosphoric acid;hydrate?
calcium;alumane;hydride;phosphoric acid;hydrate has a molecular weight of 188.11 g/mol, XLogP of -3.09, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;alumane;hydride;phosphoric acid;hydrate is sourced from PubChem (CID 173289470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).