phosphoric acid;titanium;hydrate

H5O5PTi — CID 173357749

IUPACphosphoric acid;titanium;hydrate
SMILESO.O=P(O)(O)O.[Ti]
InChIInChI=1S/H3O4P.H2O.Ti/c1-5(2,3)4;;/h(H3,1,2,3,4);1H2;
InChIKeyRBYIQKRVPUYVDH-UHFFFAOYSA-N
MW163.88 g/mol
LogP-1.76
Rot. Bonds

About phosphoric acid;titanium;hydrate

phosphoric acid;titanium;hydrate (PubChem CID 173357749) has the molecular formula H5O5PTi and a molecular weight of 163.88 g/mol. Its IUPAC name is phosphoric acid;titanium;hydrate.

Molecular Properties

Compound Namephosphoric acid;titanium;hydrate
PubChem CID173357749
Molecular FormulaH5O5PTi
Molecular Weight163.88 g/mol
Exact Mass163.94
IUPAC Namephosphoric acid;titanium;hydrate
SMILESO.O=P(O)(O)O.[Ti]
InChIInChI=1S/H3O4P.H2O.Ti/c1-5(2,3)4;;/h(H3,1,2,3,4);1H2;
InChIKeyRBYIQKRVPUYVDH-UHFFFAOYSA-N
XLogP-1.76
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.88
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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phosphoric acid;hexahydrate
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phosphoric acid;titanium
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phosphoric acid;trihydrate
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phosphoric acid;titanium
CID 173034953
phosphoric acid;octahydrate
CID 173160172
CID 173167224
CID 173167224
CID 173097851
CID 173097851
copper;phosphoric acid;hydrate
CID 516939
calcium;phosphoric acid;hydrate
CID 170923527
neodymium;phosphoric acid;hydrate
CID 156593884
CID 22052907
CID 22052907

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;titanium;hydrate?
The IUPAC name of phosphoric acid;titanium;hydrate (CID 173357749) is phosphoric acid;titanium;hydrate.
What is the SMILES notation for phosphoric acid;titanium;hydrate?
The canonical SMILES for phosphoric acid;titanium;hydrate is O.O=P(O)(O)O.[Ti].
What is the InChIKey of phosphoric acid;titanium;hydrate?
The InChIKey is RBYIQKRVPUYVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/H3O4P.H2O.Ti/c1-5(2,3)4;;/h(H3,1,2,3,4);1H2;.
What are the key properties of phosphoric acid;titanium;hydrate?
phosphoric acid;titanium;hydrate has a molecular weight of 163.88 g/mol, XLogP of -1.76, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;titanium;hydrate is sourced from PubChem (CID 173357749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).