CID 173097851

H3NaO4PTi — CID 173097851

IUPAC—
SMILESO=P(O)(O)O.[Na].[Ti]
InChIInChI=1S/Na.H3O4P.Ti/c;1-5(2,3)4;/h;(H3,1,2,3,4);
InChIKeyXLZIWHFLTNSFBE-UHFFFAOYSA-N
MW168.85 g/mol
LogP-1.31
Rot. Bonds

About CID 173097851

CID 173097851 (PubChem CID 173097851) has the molecular formula H3NaO4PTi and a molecular weight of 168.85 g/mol.

Molecular Properties

Compound NameCID 173097851
PubChem CID173097851
Molecular FormulaH3NaO4PTi
Molecular Weight168.85 g/mol
Exact Mass168.91
IUPAC Name—
SMILESO=P(O)(O)O.[Na].[Ti]
InChIInChI=1S/Na.H3O4P.Ti/c;1-5(2,3)4;/h;(H3,1,2,3,4);
InChIKeyXLZIWHFLTNSFBE-UHFFFAOYSA-N
XLogP-1.31
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.85
LogP ≤ 5-1.31
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;xenon
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CID 173400996
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CID 18515646
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CID 22023151

Frequently Asked Questions

What is the IUPAC name of CID 173097851?
The IUPAC name of CID 173097851 (CID 173097851) is not available.
What is the SMILES notation for CID 173097851?
The canonical SMILES for CID 173097851 is O=P(O)(O)O.[Na].[Ti].
What is the InChIKey of CID 173097851?
The InChIKey is XLZIWHFLTNSFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/Na.H3O4P.Ti/c;1-5(2,3)4;/h;(H3,1,2,3,4);.
What are the key properties of CID 173097851?
CID 173097851 has a molecular weight of 168.85 g/mol, XLogP of -1.31, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173097851 is sourced from PubChem (CID 173097851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).