undecacalcium;hydride;phosphoric acid

H25Ca11O4P — CID 173326872

IUPACundecacalcium;hydride;phosphoric acid
SMILESO=P(O)(O)O.[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-]
InChIInChI=1S/11Ca.H3O4P.22H/c;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;(H3,1,2,3,4);;;;;;;;;;;;;;;;;;;;;;/q11*+2;;22*-1
InChIKeyBTJYASSHLNYDOF-UHFFFAOYSA-N
MW561.03 g/mol
LogP-2.64
Rot. Bonds

About undecacalcium;hydride;phosphoric acid

undecacalcium;hydride;phosphoric acid (PubChem CID 173326872) has the molecular formula H25Ca11O4P and a molecular weight of 561.03 g/mol. Its IUPAC name is undecacalcium;hydride;phosphoric acid.

Molecular Properties

Compound Nameundecacalcium;hydride;phosphoric acid
PubChem CID173326872
Molecular FormulaH25Ca11O4P
Molecular Weight561.03 g/mol
Exact Mass559.74
IUPAC Nameundecacalcium;hydride;phosphoric acid
SMILESO=P(O)(O)O.[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-]
InChIInChI=1S/11Ca.H3O4P.22H/c;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;(H3,1,2,3,4);;;;;;;;;;;;;;;;;;;;;;/q11*+2;;22*-1
InChIKeyBTJYASSHLNYDOF-UHFFFAOYSA-N
XLogP-2.64
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.03
LogP ≤ 5-2.64
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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CID 175552956
calcium;barium(2+);hydride;phosphoric acid
CID 173359934
calcium;tetramagnesium;hydride;phosphoric acid
CID 174600677
calcium;hydride;phosphoric acid;hydrofluoride
CID 172998023
calcium;hydride;phosphoric acid;selane
CID 174689196
calcium;azane;hydride;phosphoric acid
CID 174906772
calcium;hydride;λ2-plumbane;phosphoric acid
CID 173231245
calcium;hydride;phosphoric acid;hydrate;hydrochloride
CID 174378394
calcium;alumane;hydride;phosphoric acid;hydrate
CID 173289470
dicalcium;potassium;hydride;phosphoric acid;hydrochloride
CID 174488333
molybdenum;phosphoric acid;zirconium
CID 173324853
dipotassium;hydride;phosphoric acid
CID 174834732

Frequently Asked Questions

What is the IUPAC name of undecacalcium;hydride;phosphoric acid?
The IUPAC name of undecacalcium;hydride;phosphoric acid (CID 173326872) is undecacalcium;hydride;phosphoric acid.
What is the SMILES notation for undecacalcium;hydride;phosphoric acid?
The canonical SMILES for undecacalcium;hydride;phosphoric acid is O=P(O)(O)O.[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].
What is the InChIKey of undecacalcium;hydride;phosphoric acid?
The InChIKey is BTJYASSHLNYDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/11Ca.H3O4P.22H/c;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;(H3,1,2,3,4);;;;;;;;;;;;;;;;;;;;;;/q11*+2;;22*-1.
What are the key properties of undecacalcium;hydride;phosphoric acid?
undecacalcium;hydride;phosphoric acid has a molecular weight of 561.03 g/mol, XLogP of -2.64, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undecacalcium;hydride;phosphoric acid is sourced from PubChem (CID 173326872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).