phosphoric acid

H6O8P2 — CID 5289183

IUPACphosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/2H3O4P/c2*1-5(2,3)4/h2*(H3,1,2,3,4)
InChIKeyQVLTXCYWHPZMCA-UHFFFAOYSA-N
MW195.99 g/mol
LogP-1.86
Rot. Bonds

About phosphoric acid

phosphoric acid (PubChem CID 5289183) has the molecular formula H6O8P2 and a molecular weight of 195.99 g/mol. Its IUPAC name is phosphoric acid.

Molecular Properties

Compound Namephosphoric acid
PubChem CID5289183
Molecular FormulaH6O8P2
Molecular Weight195.99 g/mol
Exact Mass195.95
IUPAC Namephosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/2H3O4P/c2*1-5(2,3)4/h2*(H3,1,2,3,4)
InChIKeyQVLTXCYWHPZMCA-UHFFFAOYSA-N
XLogP-1.86
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500195.99
LogP ≤ 5-1.86
H-Bond Donors ≤ 56
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 phosphoric acid?
The IUPAC name of phosphoric acid (CID 5289183) is phosphoric acid.
What is the SMILES notation for phosphoric acid?
The canonical SMILES for phosphoric acid is O=P(O)(O)O.O=P(O)(O)O.
What is the InChIKey of phosphoric acid?
The InChIKey is QVLTXCYWHPZMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/2H3O4P/c2*1-5(2,3)4/h2*(H3,1,2,3,4).
What are the key properties of phosphoric acid?
phosphoric acid has a molecular weight of 195.99 g/mol, XLogP of -1.86, 0 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid is sourced from PubChem (CID 5289183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).