hydron;phosphate

H2O4P- — CID 19972274

IUPAChydron;phosphate
SMILESO=P([O-])([O-])[O-].[H+].[H+]
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-M
MW96.99 g/mol
LogP-2.60
Rot. Bonds

About hydron;phosphate

hydron;phosphate (PubChem CID 19972274) has the molecular formula H2O4P- and a molecular weight of 96.99 g/mol. Its IUPAC name is hydron;phosphate.

Molecular Properties

Compound Namehydron;phosphate
PubChem CID19972274
Molecular FormulaH2O4P-
Molecular Weight96.99 g/mol
Exact Mass96.97
IUPAC Namehydron;phosphate
SMILESO=P([O-])([O-])[O-].[H+].[H+]
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-M
XLogP-2.60
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.99
LogP ≤ 5-2.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze hydron;phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hydron;iron(3+);phosphate
CID 173036063
hydron;zirconium;phosphate
CID 173215944
zinc;hydron;diphosphate
CID 20841752
azane;hydron;phosphate
CID 173322696
barium(2+);hydron;phosphate
CID 173013414
azane;hydron;titanium(4+);phosphate
CID 173494931
potassium;azane;hydron;phosphate
CID 173310600
dipotassium;trisodium;hydron;triphosphate
CID 173105953
tris(thorium(4+));tetraphosphate
CID 21475626
molybdenum diphosphate
CID 22395595
octadecaazanium;hexaphosphate
CID 158249396
zirconium(4+) phosphate
CID 21124562

Frequently Asked Questions

What is the IUPAC name of hydron;phosphate?
The IUPAC name of hydron;phosphate (CID 19972274) is hydron;phosphate.
What is the SMILES notation for hydron;phosphate?
The canonical SMILES for hydron;phosphate is O=P([O-])([O-])[O-].[H+].[H+].
What is the InChIKey of hydron;phosphate?
The InChIKey is NBIIXXVUZAFLBC-UHFFFAOYSA-M. The full InChI is InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1.
What are the key properties of hydron;phosphate?
hydron;phosphate has a molecular weight of 96.99 g/mol, XLogP of -2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;phosphate is sourced from PubChem (CID 19972274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).