bis(gadolinium(3+)) diphosphate

Gd2O8P2 — CID 172754975

IUPACbis(gadolinium(3+)) diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Gd+3].[Gd+3]
InChIInChI=1S/2Gd.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)/q2*+3;;/p-6
InChIKeyKWXLZECLAMASNE-UHFFFAOYSA-H
MW504.44 g/mol
LogP-5.65
Rot. Bonds

About bis(gadolinium(3+)) diphosphate

bis(gadolinium(3+)) diphosphate (PubChem CID 172754975) has the molecular formula Gd2O8P2 and a molecular weight of 504.44 g/mol. Its IUPAC name is bis(gadolinium(3+)) diphosphate.

Molecular Properties

Compound Namebis(gadolinium(3+)) diphosphate
PubChem CID172754975
Molecular FormulaGd2O8P2
Molecular Weight504.44 g/mol
Exact Mass505.76
IUPAC Namebis(gadolinium(3+)) diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Gd+3].[Gd+3]
InChIInChI=1S/2Gd.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)/q2*+3;;/p-6
InChIKeyKWXLZECLAMASNE-UHFFFAOYSA-H
XLogP-5.65
TPSA172.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.44
LogP ≤ 5-5.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

pentakis(gadolinium(3+));pentaphosphate
CID 173142296
calcium;gadolinium(3+);hydride;phosphate
CID 175195736
trialuminum;triphosphate
CID 23371115
methane phosphate
CID 22352647
CID 23618823
CID 23618823
hydron;phosphate
CID 19972274
zinc phosphate
CID 131721340
sodium phosphate
CID 21225609
dipotassium diphosphate
CID 18612384
CID 23618830
CID 23618830
gadolinium phosphate
CID 6365243
dysprosium(3+) phosphate
CID 14671408

Frequently Asked Questions

What is the IUPAC name of bis(gadolinium(3+)) diphosphate?
The IUPAC name of bis(gadolinium(3+)) diphosphate (CID 172754975) is bis(gadolinium(3+)) diphosphate.
What is the SMILES notation for bis(gadolinium(3+)) diphosphate?
The canonical SMILES for bis(gadolinium(3+)) diphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Gd+3].[Gd+3].
What is the InChIKey of bis(gadolinium(3+)) diphosphate?
The InChIKey is KWXLZECLAMASNE-UHFFFAOYSA-H. The full InChI is InChI=1S/2Gd.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)/q2*+3;;/p-6.
What are the key properties of bis(gadolinium(3+)) diphosphate?
bis(gadolinium(3+)) diphosphate has a molecular weight of 504.44 g/mol, XLogP of -5.65, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(gadolinium(3+)) diphosphate is sourced from PubChem (CID 172754975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).