phosphoric acid;titanium

H6O8P2Ti — CID 173034953

IUPACphosphoric acid;titanium
SMILESO=P(O)(O)O.O=P(O)(O)O.[Ti]
InChIInChI=1S/2H3O4P.Ti/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);
InChIKeyAULHCKJRRDUTSQ-UHFFFAOYSA-N
MW243.86 g/mol
LogP-1.86
Rot. Bonds

About phosphoric acid;titanium

phosphoric acid;titanium (PubChem CID 173034953) has the molecular formula H6O8P2Ti and a molecular weight of 243.86 g/mol. Its IUPAC name is phosphoric acid;titanium.

Molecular Properties

Compound Namephosphoric acid;titanium
PubChem CID173034953
Molecular FormulaH6O8P2Ti
Molecular Weight243.86 g/mol
Exact Mass243.90
IUPAC Namephosphoric acid;titanium
SMILESO=P(O)(O)O.O=P(O)(O)O.[Ti]
InChIInChI=1S/2H3O4P.Ti/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);
InChIKeyAULHCKJRRDUTSQ-UHFFFAOYSA-N
XLogP-1.86
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.86
LogP ≤ 5-1.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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phosphane;phosphoric acid
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Frequently Asked Questions

What is the IUPAC name of phosphoric acid;titanium?
The IUPAC name of phosphoric acid;titanium (CID 173034953) is phosphoric acid;titanium.
What is the SMILES notation for phosphoric acid;titanium?
The canonical SMILES for phosphoric acid;titanium is O=P(O)(O)O.O=P(O)(O)O.[Ti].
What is the InChIKey of phosphoric acid;titanium?
The InChIKey is AULHCKJRRDUTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2H3O4P.Ti/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);.
What are the key properties of phosphoric acid;titanium?
phosphoric acid;titanium has a molecular weight of 243.86 g/mol, XLogP of -1.86, 0 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;titanium is sourced from PubChem (CID 173034953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).