pentakis(indium(3+));heptakis(oxygen(2-));pentakis(tin(4+));heptaphosphate

In5O35P7Sn5 — CID 173092768

IUPACpentakis(indium(3+));heptakis(oxygen(2-));pentakis(tin(4+));heptaphosphate
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-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[In+3].[In+3].[In+3].[In+3].[In+3].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sn+4].[Sn+4].[Sn+4].[Sn+4].[Sn+4]
InChIInChI=1S/5In.7H3O4P.7O.5Sn/c;;;;;7*1-5(2,3)4;;;;;;;;;;;;/h;;;;;7*(H3,1,2,3,4);;;;;;;;;;;;/q5*+3;;;;;;;;7*-2;5*+4/p-21
InChIKeyCYWCVHRNZUOJQO-UHFFFAOYSA-A
MW1944.43 g/mol
LogP-24.41
Rot. Bonds

About pentakis(indium(3+));heptakis(oxygen(2-));pentakis(tin(4+));heptaphosphate

pentakis(indium(3+));heptakis(oxygen(2-));pentakis(tin(4+));heptaphosphate (PubChem CID 173092768) has the molecular formula In5O35P7Sn5 and a molecular weight of 1944.43 g/mol. Its IUPAC name is pentakis(indium(3+));heptakis(oxygen(2-));pentakis(tin(4+));heptaphosphate.

Molecular Properties

Compound Namepentakis(indium(3+));heptakis(oxygen(2-));pentakis(tin(4+));heptaphosphate
PubChem CID173092768
Molecular FormulaIn5O35P7Sn5
Molecular Weight1944.43 g/mol
Exact Mass1950.67
IUPAC Namepentakis(indium(3+));heptakis(oxygen(2-));pentakis(tin(4+));heptaphosphate
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-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[In+3].[In+3].[In+3].[In+3].[In+3].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sn+4].[Sn+4].[Sn+4].[Sn+4].[Sn+4]
InChIInChI=1S/5In.7H3O4P.7O.5Sn/c;;;;;7*1-5(2,3)4;;;;;;;;;;;;/h;;;;;7*(H3,1,2,3,4);;;;;;;;;;;;/q5*+3;;;;;;;;7*-2;5*+4/p-21
InChIKeyCYWCVHRNZUOJQO-UHFFFAOYSA-A
XLogP-24.41
TPSA803.25 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001944.43
LogP ≤ 5-24.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze pentakis(indium(3+));heptakis(oxygen(2-));pentakis(tin(4+));heptaphosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;tin(4+);phosphate
CID 160930212
aluminum;bis(indium(3+));triphosphate
CID 174896322
gallium;indium(3+);phosphate
CID 22338695
zinc;indium(3+);phosphate
CID 159690150
oxygen(2-);vanadium;phosphate
CID 10313253
pentacopper;bis(oxygen(2-));diphosphate
CID 173096360
dialuminum;magnesium;bis(oxygen(2-));phosphate
CID 172798844
bis(gadolinium(3+)) diphosphate
CID 172754975
trialuminum;triphosphate
CID 23371115
methane phosphate
CID 22352647
CID 23618823
CID 23618823
hydron;phosphate
CID 19972274

Frequently Asked Questions

What is the IUPAC name of pentakis(indium(3+));heptakis(oxygen(2-));pentakis(tin(4+));heptaphosphate?
The IUPAC name of pentakis(indium(3+));heptakis(oxygen(2-));pentakis(tin(4+));heptaphosphate (CID 173092768) is pentakis(indium(3+));heptakis(oxygen(2-));pentakis(tin(4+));heptaphosphate.
What is the SMILES notation for pentakis(indium(3+));heptakis(oxygen(2-));pentakis(tin(4+));heptaphosphate?
The canonical SMILES for pentakis(indium(3+));heptakis(oxygen(2-));pentakis(tin(4+));heptaphosphate 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-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[In+3].[In+3].[In+3].[In+3].[In+3].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sn+4].[Sn+4].[Sn+4].[Sn+4].[Sn+4].
What is the InChIKey of pentakis(indium(3+));heptakis(oxygen(2-));pentakis(tin(4+));heptaphosphate?
The InChIKey is CYWCVHRNZUOJQO-UHFFFAOYSA-A. The full InChI is InChI=1S/5In.7H3O4P.7O.5Sn/c;;;;;7*1-5(2,3)4;;;;;;;;;;;;/h;;;;;7*(H3,1,2,3,4);;;;;;;;;;;;/q5*+3;;;;;;;;7*-2;5*+4/p-21.
What are the key properties of pentakis(indium(3+));heptakis(oxygen(2-));pentakis(tin(4+));heptaphosphate?
pentakis(indium(3+));heptakis(oxygen(2-));pentakis(tin(4+));heptaphosphate has a molecular weight of 1944.43 g/mol, XLogP of -24.41, 0 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(indium(3+));heptakis(oxygen(2-));pentakis(tin(4+));heptaphosphate is sourced from PubChem (CID 173092768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).