phosphoric acid;hydrate

H5O5P — CID 22023151

IUPACphosphoric acid;hydrate
SMILESO.O=P(O)(O)O
InChIInChI=1S/H3O4P.H2O/c1-5(2,3)4;/h(H3,1,2,3,4);1H2
InChIKeyTWHXWYVOWJCXSI-UHFFFAOYSA-N
MW116.01 g/mol
LogP-1.75
Rot. Bonds

About phosphoric acid;hydrate

phosphoric acid;hydrate (PubChem CID 22023151) has the molecular formula H5O5P and a molecular weight of 116.01 g/mol. Its IUPAC name is phosphoric acid;hydrate.

Molecular Properties

Compound Namephosphoric acid;hydrate
PubChem CID22023151
Molecular FormulaH5O5P
Molecular Weight116.01 g/mol
Exact Mass115.99
IUPAC Namephosphoric acid;hydrate
SMILESO.O=P(O)(O)O
InChIInChI=1S/H3O4P.H2O/c1-5(2,3)4;/h(H3,1,2,3,4);1H2
InChIKeyTWHXWYVOWJCXSI-UHFFFAOYSA-N
XLogP-1.75
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.01
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

phosphoric acid;hexahydrate
CID 158346288
phosphoric acid;trihydrate
CID 18988970
phosphoric acid;octahydrate
CID 173160172
CID 173167224
CID 173167224
azane;phosphoric acid;hydrate
CID 173222009
copper;phosphoric acid;hydrate
CID 516939
calcium;phosphoric acid;hydrate
CID 170923527
neodymium;phosphoric acid;hydrate
CID 156593884
phosphane;phosphoric acid;hydrate
CID 157469515
phosphoric acid;zinc;octahydrate
CID 173057080
phosphoric acid;titanium;hydrate
CID 173357749
tetrasodium;hydride;phosphoric acid;decahydrate
CID 173083849

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;hydrate?
The IUPAC name of phosphoric acid;hydrate (CID 22023151) is phosphoric acid;hydrate.
What is the SMILES notation for phosphoric acid;hydrate?
The canonical SMILES for phosphoric acid;hydrate is O.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;hydrate?
The InChIKey is TWHXWYVOWJCXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/H3O4P.H2O/c1-5(2,3)4;/h(H3,1,2,3,4);1H2.
What are the key properties of phosphoric acid;hydrate?
phosphoric acid;hydrate has a molecular weight of 116.01 g/mol, XLogP of -1.75, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;hydrate is sourced from PubChem (CID 22023151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).