phosphonato phosphate;bis(titanium(4+))

O14P4Ti2 — CID 158284224

IUPACphosphonato phosphate;bis(titanium(4+))
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[Ti+4].[Ti+4]
InChIInChI=1S/2H4O7P2.2Ti/c2*1-8(2,3)7-9(4,5)6;;/h2*(H2,1,2,3)(H2,4,5,6);;/q;;2*+4/p-8
InChIKeyGKOQZZAORWKGOJ-UHFFFAOYSA-F
MW443.62 g/mol
LogP-6.68
Rot. Bonds4

About phosphonato phosphate;bis(titanium(4+))

phosphonato phosphate;bis(titanium(4+)) (PubChem CID 158284224) has the molecular formula O14P4Ti2 and a molecular weight of 443.62 g/mol. Its IUPAC name is phosphonato phosphate;bis(titanium(4+)).

Molecular Properties

Compound Namephosphonato phosphate;bis(titanium(4+))
PubChem CID158284224
Molecular FormulaO14P4Ti2
Molecular Weight443.62 g/mol
Exact Mass443.72
IUPAC Namephosphonato phosphate;bis(titanium(4+))
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[Ti+4].[Ti+4]
InChIInChI=1S/2H4O7P2.2Ti/c2*1-8(2,3)7-9(4,5)6;;/h2*(H2,1,2,3)(H2,4,5,6);;/q;;2*+4/p-8
InChIKeyGKOQZZAORWKGOJ-UHFFFAOYSA-F
XLogP-6.68
TPSA271.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.62
LogP ≤ 5-6.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

phosphonato phosphate
CID 644102
aluminum;lithium;phosphonato phosphate;titanium(4+)
CID 175348494
tetrakis(cobalt(3+));phosphonato phosphate
CID 159266783
phosphonato phosphate;decahydrate
CID 22385493
tetrapotassium;tetrasodium;phosphonato phosphate
CID 19872331
pentasodium;phosphonato phosphate;hydroxide
CID 158792062
pentasodium;phosphonato phosphate;fluoride
CID 23202687
heptasodium;tetrakis(iron(3+));phosphonato phosphate
CID 56846460
mercury;phosphonato phosphate
CID 157352193
sodium;chromium(3+);phosphonato phosphate
CID 159071425
phosphonato phosphate;tetrakis(thallium(1+))
CID 22764813
copper;disodium;phosphonato phosphate
CID 173106560

Frequently Asked Questions

What is the IUPAC name of phosphonato phosphate;bis(titanium(4+))?
The IUPAC name of phosphonato phosphate;bis(titanium(4+)) (CID 158284224) is phosphonato phosphate;bis(titanium(4+)).
What is the SMILES notation for phosphonato phosphate;bis(titanium(4+))?
The canonical SMILES for phosphonato phosphate;bis(titanium(4+)) is O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[Ti+4].[Ti+4].
What is the InChIKey of phosphonato phosphate;bis(titanium(4+))?
The InChIKey is GKOQZZAORWKGOJ-UHFFFAOYSA-F. The full InChI is InChI=1S/2H4O7P2.2Ti/c2*1-8(2,3)7-9(4,5)6;;/h2*(H2,1,2,3)(H2,4,5,6);;/q;;2*+4/p-8.
What are the key properties of phosphonato phosphate;bis(titanium(4+))?
phosphonato phosphate;bis(titanium(4+)) has a molecular weight of 443.62 g/mol, XLogP of -6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for phosphonato phosphate;bis(titanium(4+)) is sourced from PubChem (CID 158284224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).