hydrogen phosphate;hydron

H3O4P — CID 172995034

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IUPAChydrogen phosphate;hydron
SMILESO=P([O-])([O-])O.[H+].[H+]
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-N
MW97.99 g/mol
LogP-1.97
Rot. Bonds

About hydrogen phosphate;hydron

hydrogen phosphate;hydron (PubChem CID 172995034) has the molecular formula H3O4P and a molecular weight of 97.99 g/mol. Its IUPAC name is hydrogen phosphate;hydron.

Molecular Properties

Compound Namehydrogen phosphate;hydron
PubChem CID172995034
Molecular FormulaH3O4P
Molecular Weight97.99 g/mol
Exact Mass97.98
IUPAC Namehydrogen phosphate;hydron
SMILESO=P([O-])([O-])O.[H+].[H+]
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-N
XLogP-1.97
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.99
LogP ≤ 5-1.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydrogen phosphate;hydron?
The IUPAC name of hydrogen phosphate;hydron (CID 172995034) is hydrogen phosphate;hydron.
What is the SMILES notation for hydrogen phosphate;hydron?
The canonical SMILES for hydrogen phosphate;hydron is O=P([O-])([O-])O.[H+].[H+].
What is the InChIKey of hydrogen phosphate;hydron?
The InChIKey is NBIIXXVUZAFLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4).
What are the key properties of hydrogen phosphate;hydron?
hydrogen phosphate;hydron has a molecular weight of 97.99 g/mol, XLogP of -1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen phosphate;hydron is sourced from PubChem (CID 172995034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).