strontium;dihydrogen phosphate;indium(3+);phosphonato phosphate

H2InO11P3Sr — CID 175330961

IUPACstrontium;dihydrogen phosphate;indium(3+);phosphonato phosphate
SMILESO=P([O-])(O)O.O=P([O-])([O-])OP(=O)([O-])[O-].[In+3].[Sr+2]
InChIInChI=1S/In.H4O7P2.H3O4P.Sr/c;1-8(2,3)7-9(4,5)6;1-5(2,3)4;/h;(H2,1,2,3)(H2,4,5,6);(H3,1,2,3,4);/q+3;;;+2/p-5
InChIKeyBQAHQRFEPJDOHZ-UHFFFAOYSA-I
MW473.37 g/mol
LogP-5.66
Rot. Bonds2

About strontium;dihydrogen phosphate;indium(3+);phosphonato phosphate

strontium;dihydrogen phosphate;indium(3+);phosphonato phosphate (PubChem CID 175330961) has the molecular formula H2InO11P3Sr and a molecular weight of 473.37 g/mol. Its IUPAC name is strontium;dihydrogen phosphate;indium(3+);phosphonato phosphate.

Molecular Properties

Compound Namestrontium;dihydrogen phosphate;indium(3+);phosphonato phosphate
PubChem CID175330961
Molecular FormulaH2InO11P3Sr
Molecular Weight473.37 g/mol
Exact Mass473.69
IUPAC Namestrontium;dihydrogen phosphate;indium(3+);phosphonato phosphate
SMILESO=P([O-])(O)O.O=P([O-])([O-])OP(=O)([O-])[O-].[In+3].[Sr+2]
InChIInChI=1S/In.H4O7P2.H3O4P.Sr/c;1-8(2,3)7-9(4,5)6;1-5(2,3)4;/h;(H2,1,2,3)(H2,4,5,6);(H3,1,2,3,4);/q+3;;;+2/p-5
InChIKeyBQAHQRFEPJDOHZ-UHFFFAOYSA-I
XLogP-5.66
TPSA216.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.37
LogP ≤ 5-5.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

disodium;iron(2+);phosphonato phosphate;phosphoric acid
CID 175805156
calcium;strontium;phosphonato phosphate
CID 22266905
phosphonato phosphate
CID 644102
copper;disodium;phosphonato phosphate
CID 173106560
tetrakis(cobalt(3+));phosphonato phosphate
CID 159266783
phosphonato phosphate;decahydrate
CID 22385493
phosphonato phosphate;bis(titanium(4+))
CID 158284224
tetrapotassium;tetrasodium;phosphonato phosphate
CID 19872331
pentasodium;phosphonato phosphate;hydroxide
CID 158792062
pentasodium;phosphonato phosphate;fluoride
CID 23202687
mercury;phosphonato phosphate
CID 157352193
heptasodium;tetrakis(iron(3+));phosphonato phosphate
CID 56846460

Frequently Asked Questions

What is the IUPAC name of strontium;dihydrogen phosphate;indium(3+);phosphonato phosphate?
The IUPAC name of strontium;dihydrogen phosphate;indium(3+);phosphonato phosphate (CID 175330961) is strontium;dihydrogen phosphate;indium(3+);phosphonato phosphate.
What is the SMILES notation for strontium;dihydrogen phosphate;indium(3+);phosphonato phosphate?
The canonical SMILES for strontium;dihydrogen phosphate;indium(3+);phosphonato phosphate is O=P([O-])(O)O.O=P([O-])([O-])OP(=O)([O-])[O-].[In+3].[Sr+2].
What is the InChIKey of strontium;dihydrogen phosphate;indium(3+);phosphonato phosphate?
The InChIKey is BQAHQRFEPJDOHZ-UHFFFAOYSA-I. The full InChI is InChI=1S/In.H4O7P2.H3O4P.Sr/c;1-8(2,3)7-9(4,5)6;1-5(2,3)4;/h;(H2,1,2,3)(H2,4,5,6);(H3,1,2,3,4);/q+3;;;+2/p-5.
What are the key properties of strontium;dihydrogen phosphate;indium(3+);phosphonato phosphate?
strontium;dihydrogen phosphate;indium(3+);phosphonato phosphate has a molecular weight of 473.37 g/mol, XLogP of -5.66, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;dihydrogen phosphate;indium(3+);phosphonato phosphate is sourced from PubChem (CID 175330961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).