pentakis(gadolinium(3+));pentaphosphate

Gd5O20P5 — CID 173142296

IUPACpentakis(gadolinium(3+));pentaphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3]
InChIInChI=1S/5Gd.5H3O4P/c;;;;;5*1-5(2,3)4/h;;;;;5*(H3,1,2,3,4)/q5*+3;;;;;/p-15
InChIKeyPWMOMDPKTACXDE-UHFFFAOYSA-A
MW1261.10 g/mol
LogP-14.12
Rot. Bonds

About pentakis(gadolinium(3+));pentaphosphate

pentakis(gadolinium(3+));pentaphosphate (PubChem CID 173142296) has the molecular formula Gd5O20P5 and a molecular weight of 1261.10 g/mol. Its IUPAC name is pentakis(gadolinium(3+));pentaphosphate.

Molecular Properties

Compound Namepentakis(gadolinium(3+));pentaphosphate
PubChem CID173142296
Molecular FormulaGd5O20P5
Molecular Weight1261.10 g/mol
Exact Mass1264.39
IUPAC Namepentakis(gadolinium(3+));pentaphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3]
InChIInChI=1S/5Gd.5H3O4P/c;;;;;5*1-5(2,3)4/h;;;;;5*(H3,1,2,3,4)/q5*+3;;;;;/p-15
InChIKeyPWMOMDPKTACXDE-UHFFFAOYSA-A
XLogP-14.12
TPSA431.25 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001261.10
LogP ≤ 5-14.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Related Compounds

bis(gadolinium(3+)) diphosphate
CID 172754975
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 pentakis(gadolinium(3+));pentaphosphate?
The IUPAC name of pentakis(gadolinium(3+));pentaphosphate (CID 173142296) is pentakis(gadolinium(3+));pentaphosphate.
What is the SMILES notation for pentakis(gadolinium(3+));pentaphosphate?
The canonical SMILES for pentakis(gadolinium(3+));pentaphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].
What is the InChIKey of pentakis(gadolinium(3+));pentaphosphate?
The InChIKey is PWMOMDPKTACXDE-UHFFFAOYSA-A. The full InChI is InChI=1S/5Gd.5H3O4P/c;;;;;5*1-5(2,3)4/h;;;;;5*(H3,1,2,3,4)/q5*+3;;;;;/p-15.
What are the key properties of pentakis(gadolinium(3+));pentaphosphate?
pentakis(gadolinium(3+));pentaphosphate has a molecular weight of 1261.10 g/mol, XLogP of -14.12, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(gadolinium(3+));pentaphosphate is sourced from PubChem (CID 173142296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).