tetrakis(cobalt(3+));phosphonato phosphate

Co4O21P6 — CID 159266783

IUPACtetrakis(cobalt(3+));phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[Co+3].[Co+3].[Co+3].[Co+3]
InChIInChI=1S/4Co.3H4O7P2/c;;;;3*1-8(2,3)7-9(4,5)6/h;;;;3*(H2,1,2,3)(H2,4,5,6)/q4*+3;;;/p-12
InChIKeyKXFBINJURZHERG-UHFFFAOYSA-B
MW757.56 g/mol
LogP-10.03
Rot. Bonds6

About tetrakis(cobalt(3+));phosphonato phosphate

tetrakis(cobalt(3+));phosphonato phosphate (PubChem CID 159266783) has the molecular formula Co4O21P6 and a molecular weight of 757.56 g/mol. Its IUPAC name is tetrakis(cobalt(3+));phosphonato phosphate.

Molecular Properties

Compound Nametetrakis(cobalt(3+));phosphonato phosphate
PubChem CID159266783
Molecular FormulaCo4O21P6
Molecular Weight757.56 g/mol
Exact Mass757.47
IUPAC Nametetrakis(cobalt(3+));phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[Co+3].[Co+3].[Co+3].[Co+3]
InChIInChI=1S/4Co.3H4O7P2/c;;;;3*1-8(2,3)7-9(4,5)6/h;;;;3*(H2,1,2,3)(H2,4,5,6)/q4*+3;;;/p-12
InChIKeyKXFBINJURZHERG-UHFFFAOYSA-B
XLogP-10.03
TPSA406.83 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.56
LogP ≤ 5-10.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

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Related Compounds

phosphonato phosphate
CID 644102
phosphonato phosphate;bis(titanium(4+))
CID 158284224
phosphonato phosphate;decahydrate
CID 22385493
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
sodium;chromium(3+);phosphonato phosphate
CID 159071425
phosphonato phosphate;tetrakis(thallium(1+))
CID 22764813
copper;disodium;phosphonato phosphate
CID 173106560
calcium;strontium;phosphonato phosphate
CID 22266905

Frequently Asked Questions

What is the IUPAC name of tetrakis(cobalt(3+));phosphonato phosphate?
The IUPAC name of tetrakis(cobalt(3+));phosphonato phosphate (CID 159266783) is tetrakis(cobalt(3+));phosphonato phosphate.
What is the SMILES notation for tetrakis(cobalt(3+));phosphonato phosphate?
The canonical SMILES for tetrakis(cobalt(3+));phosphonato phosphate is O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[Co+3].[Co+3].[Co+3].[Co+3].
What is the InChIKey of tetrakis(cobalt(3+));phosphonato phosphate?
The InChIKey is KXFBINJURZHERG-UHFFFAOYSA-B. The full InChI is InChI=1S/4Co.3H4O7P2/c;;;;3*1-8(2,3)7-9(4,5)6/h;;;;3*(H2,1,2,3)(H2,4,5,6)/q4*+3;;;/p-12.
What are the key properties of tetrakis(cobalt(3+));phosphonato phosphate?
tetrakis(cobalt(3+));phosphonato phosphate has a molecular weight of 757.56 g/mol, XLogP of -10.03, 6 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cobalt(3+));phosphonato phosphate is sourced from PubChem (CID 159266783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).