phosphoric acid;octahydrate

H22O16P2 — CID 173160172

IUPACphosphoric acid;octahydrate
SMILESO.O.O.O.O.O.O.O.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/2H3O4P.8H2O/c2*1-5(2,3)4;;;;;;;;/h2*(H3,1,2,3,4);8*1H2
InChIKeyKCAJYXJPXAFLFU-UHFFFAOYSA-N
MW340.11 g/mol
LogP-8.45
Rot. Bonds

About phosphoric acid;octahydrate

phosphoric acid;octahydrate (PubChem CID 173160172) has the molecular formula H22O16P2 and a molecular weight of 340.11 g/mol. Its IUPAC name is phosphoric acid;octahydrate.

Molecular Properties

Compound Namephosphoric acid;octahydrate
PubChem CID173160172
Molecular FormulaH22O16P2
Molecular Weight340.11 g/mol
Exact Mass340.04
IUPAC Namephosphoric acid;octahydrate
SMILESO.O.O.O.O.O.O.O.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/2H3O4P.8H2O/c2*1-5(2,3)4;;;;;;;;/h2*(H3,1,2,3,4);8*1H2
InChIKeyKCAJYXJPXAFLFU-UHFFFAOYSA-N
XLogP-8.45
TPSA407.52 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.11
LogP ≤ 5-8.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phosphoric acid;hydrate
CID 22023151
phosphoric acid;hexahydrate
CID 158346288
phosphoric acid;trihydrate
CID 18988970
phosphane;phosphoric acid;hydrate
CID 157469515
phosphoric acid;titanium;hydrate
CID 173357749
copper;phosphoric acid;hydrate
CID 516939
calcium;phosphoric acid;hydrate
CID 170923527
neodymium;phosphoric acid;hydrate
CID 156593884
phosphoric acid;zinc;octahydrate
CID 173057080
azane;phosphoric acid;hydrate
CID 173222009
CID 173167224
CID 173167224
dimagnesium;hydride;phosphoric acid;dodecahydrate
CID 173372641

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;octahydrate?
The IUPAC name of phosphoric acid;octahydrate (CID 173160172) is phosphoric acid;octahydrate.
What is the SMILES notation for phosphoric acid;octahydrate?
The canonical SMILES for phosphoric acid;octahydrate is O.O.O.O.O.O.O.O.O=P(O)(O)O.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;octahydrate?
The InChIKey is KCAJYXJPXAFLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/2H3O4P.8H2O/c2*1-5(2,3)4;;;;;;;;/h2*(H3,1,2,3,4);8*1H2.
What are the key properties of phosphoric acid;octahydrate?
phosphoric acid;octahydrate has a molecular weight of 340.11 g/mol, XLogP of -8.45, 0 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;octahydrate is sourced from PubChem (CID 173160172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).