calcium;gadolinium(3+);hydride;phosphate

H2CaGdO4P — CID 175195736

IUPACcalcium;gadolinium(3+);hydride;phosphate
SMILESO=P([O-])([O-])[O-].[Ca+2].[Gd+3].[H-].[H-]
InChIInChI=1S/Ca.Gd.H3O4P.2H/c;;1-5(2,3)4;;/h;;(H3,1,2,3,4);;/q+2;+3;;2*-1/p-3
InChIKeyISNLEXYJONTVKE-UHFFFAOYSA-K
MW294.31 g/mol
LogP-2.98
Rot. Bonds

About calcium;gadolinium(3+);hydride;phosphate

calcium;gadolinium(3+);hydride;phosphate (PubChem CID 175195736) has the molecular formula H2CaGdO4P and a molecular weight of 294.31 g/mol. Its IUPAC name is calcium;gadolinium(3+);hydride;phosphate.

Molecular Properties

Compound Namecalcium;gadolinium(3+);hydride;phosphate
PubChem CID175195736
Molecular FormulaH2CaGdO4P
Molecular Weight294.31 g/mol
Exact Mass294.86
IUPAC Namecalcium;gadolinium(3+);hydride;phosphate
SMILESO=P([O-])([O-])[O-].[Ca+2].[Gd+3].[H-].[H-]
InChIInChI=1S/Ca.Gd.H3O4P.2H/c;;1-5(2,3)4;;/h;;(H3,1,2,3,4);;/q+2;+3;;2*-1/p-3
InChIKeyISNLEXYJONTVKE-UHFFFAOYSA-K
XLogP-2.98
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-2.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetracalcium;hydride;diphosphate
CID 173034518
tetracalcium;hydride;zinc;diphosphate
CID 173330822
bis(gadolinium(3+)) diphosphate
CID 172754975
molybdenum diphosphate
CID 22395595
pentakis(gadolinium(3+));pentaphosphate
CID 173142296
pentacalcium;phosphate
CID 23104844
nonacalcium;trisodium;heptaphosphate
CID 173013514
octacalcium;phosphate;pentahydrate
CID 22051766
tricalcium;silver;phosphate
CID 161015169
molybdenum;tris(vanadium);undecaphosphate
CID 18374020
tricalcium;zirconium(4+);phosphate
CID 172787637
tricalcium;fluoride;phosphate
CID 157125921

Frequently Asked Questions

What is the IUPAC name of calcium;gadolinium(3+);hydride;phosphate?
The IUPAC name of calcium;gadolinium(3+);hydride;phosphate (CID 175195736) is calcium;gadolinium(3+);hydride;phosphate.
What is the SMILES notation for calcium;gadolinium(3+);hydride;phosphate?
The canonical SMILES for calcium;gadolinium(3+);hydride;phosphate is O=P([O-])([O-])[O-].[Ca+2].[Gd+3].[H-].[H-].
What is the InChIKey of calcium;gadolinium(3+);hydride;phosphate?
The InChIKey is ISNLEXYJONTVKE-UHFFFAOYSA-K. The full InChI is InChI=1S/Ca.Gd.H3O4P.2H/c;;1-5(2,3)4;;/h;;(H3,1,2,3,4);;/q+2;+3;;2*-1/p-3.
What are the key properties of calcium;gadolinium(3+);hydride;phosphate?
calcium;gadolinium(3+);hydride;phosphate has a molecular weight of 294.31 g/mol, XLogP of -2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;gadolinium(3+);hydride;phosphate is sourced from PubChem (CID 175195736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).