hydrogen phosphate

HO4P-2 — CID 3681305

IUPAChydrogen phosphate
SMILESO=P([O-])([O-])O
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-L
MW95.98 g/mol
LogP-2.19
Rot. Bonds

About hydrogen phosphate

hydrogen phosphate (PubChem CID 3681305) has the molecular formula HO4P-2 and a molecular weight of 95.98 g/mol. Its IUPAC name is hydrogen phosphate.

Molecular Properties

Compound Namehydrogen phosphate
PubChem CID3681305
Molecular FormulaHO4P-2
Molecular Weight95.98 g/mol
Exact Mass95.96
IUPAC Namehydrogen phosphate
SMILESO=P([O-])([O-])O
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-L
XLogP-2.19
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.98
LogP ≤ 5-2.19
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?
The IUPAC name of hydrogen phosphate (CID 3681305) is hydrogen phosphate.
What is the SMILES notation for hydrogen phosphate?
The canonical SMILES for hydrogen phosphate is O=P([O-])([O-])O.
What is the InChIKey of hydrogen phosphate?
The InChIKey is NBIIXXVUZAFLBC-UHFFFAOYSA-L. The full InChI is InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2.
What are the key properties of hydrogen phosphate?
hydrogen phosphate has a molecular weight of 95.98 g/mol, XLogP of -2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen phosphate is sourced from PubChem (CID 3681305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).