Phosphoric acid--silanol (1/3)

H6O7PSi3 — CID 78065783

IUPAC—
SMILESO=P(O)(O)O.O[Si].O[Si].O[Si]
InChIInChI=1S/H3O4P.3HOSi/c1-5(2,3)4;3*1-2/h(H3,1,2,3,4);3*1H
InChIKeyJKLKUPOGCFKIGH-UHFFFAOYSA-N
MW233.27 g/mol
LogP-3.74
Rot. Bonds

About Phosphoric acid--silanol (1/3)

Phosphoric acid--silanol (1/3) (PubChem CID 78065783) has the molecular formula H6O7PSi3 and a molecular weight of 233.27 g/mol.

Molecular Properties

Compound NamePhosphoric acid--silanol (1/3)
PubChem CID78065783
Molecular FormulaH6O7PSi3
Molecular Weight233.27 g/mol
Exact Mass232.92
IUPAC Name—
SMILESO=P(O)(O)O.O[Si].O[Si].O[Si]
InChIInChI=1S/H3O4P.3HOSi/c1-5(2,3)4;3*1-2/h(H3,1,2,3,4);3*1H
InChIKeyJKLKUPOGCFKIGH-UHFFFAOYSA-N
XLogP-3.74
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.27
LogP ≤ 5-3.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methane;phosphoric acid
CID 18515646
phosphoric acid;hydrate
CID 22023151
phosphane;phosphoric acid
CID 172840180
CID 159816390
CID 159816390
hydrogen peroxide;phosphoric acid
CID 18509931
CID 173050648
CID 173050648
cerium;phosphoric acid
CID 90659592
methane;phosphoric acid
CID 173400304
iron;phosphoric acid
CID 174838016
phosphane;phosphoric acid
CID 173160232
phosphoric acid;xenon
CID 159732465
Sodium phosphate dibasic, p.a.
CID 86587427

Frequently Asked Questions

What is the IUPAC name of Phosphoric acid--silanol (1/3)?
The IUPAC name of Phosphoric acid--silanol (1/3) (CID 78065783) is not available.
What is the SMILES notation for Phosphoric acid--silanol (1/3)?
The canonical SMILES for Phosphoric acid--silanol (1/3) is O=P(O)(O)O.O[Si].O[Si].O[Si].
What is the InChIKey of Phosphoric acid--silanol (1/3)?
The InChIKey is JKLKUPOGCFKIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/H3O4P.3HOSi/c1-5(2,3)4;3*1-2/h(H3,1,2,3,4);3*1H.
What are the key properties of Phosphoric acid--silanol (1/3)?
Phosphoric acid--silanol (1/3) has a molecular weight of 233.27 g/mol, XLogP of -3.74, 0 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Phosphoric acid--silanol (1/3) is sourced from PubChem (CID 78065783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).