dihydrogen phosphate;hydron

H3O4P — CID 173209996

💊View drug profile → phosphoric acid
IUPACdihydrogen phosphate;hydron
SMILESO=P([O-])(O)O.[H+]
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-N
MW97.99 g/mol
LogP-1.45
Rot. Bonds

About dihydrogen phosphate;hydron

dihydrogen phosphate;hydron (PubChem CID 173209996) has the molecular formula H3O4P and a molecular weight of 97.99 g/mol. Its IUPAC name is dihydrogen phosphate;hydron.

Molecular Properties

Compound Namedihydrogen phosphate;hydron
PubChem CID173209996
Molecular FormulaH3O4P
Molecular Weight97.99 g/mol
Exact Mass97.98
IUPAC Namedihydrogen phosphate;hydron
SMILESO=P([O-])(O)O.[H+]
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-N
XLogP-1.45
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.99
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydrogen phosphate;hydron?
The IUPAC name of dihydrogen phosphate;hydron (CID 173209996) is dihydrogen phosphate;hydron.
What is the SMILES notation for dihydrogen phosphate;hydron?
The canonical SMILES for dihydrogen phosphate;hydron is O=P([O-])(O)O.[H+].
What is the InChIKey of dihydrogen 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 dihydrogen phosphate;hydron?
dihydrogen phosphate;hydron has a molecular weight of 97.99 g/mol, XLogP of -1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydrogen phosphate;hydron is sourced from PubChem (CID 173209996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).