phosphoric acid;trihydrate

H9O7P — CID 18988970

IUPACphosphoric acid;trihydrate
SMILESO.O.O.O=P(O)(O)O
InChIInChI=1S/H3O4P.3H2O/c1-5(2,3)4;;;/h(H3,1,2,3,4);3*1H2
InChIKeyKWCHQJSISLQWHH-UHFFFAOYSA-N
MW152.04 g/mol
LogP-3.40
Rot. Bonds

About phosphoric acid;trihydrate

phosphoric acid;trihydrate (PubChem CID 18988970) has the molecular formula H9O7P and a molecular weight of 152.04 g/mol. Its IUPAC name is phosphoric acid;trihydrate.

Molecular Properties

Compound Namephosphoric acid;trihydrate
PubChem CID18988970
Molecular FormulaH9O7P
Molecular Weight152.04 g/mol
Exact Mass152.01
IUPAC Namephosphoric acid;trihydrate
SMILESO.O.O.O=P(O)(O)O
InChIInChI=1S/H3O4P.3H2O/c1-5(2,3)4;;;/h(H3,1,2,3,4);3*1H2
InChIKeyKWCHQJSISLQWHH-UHFFFAOYSA-N
XLogP-3.40
TPSA172.26 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.04
LogP ≤ 5-3.40
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;hydrate
CID 22023151
phosphoric acid;hexahydrate
CID 158346288
phosphoric acid;octahydrate
CID 173160172
CID 173167224
CID 173167224
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
phosphane;phosphoric acid;hydrate
CID 157469515
tetrasodium;hydride;phosphoric acid;decahydrate
CID 173083849

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;trihydrate?
The IUPAC name of phosphoric acid;trihydrate (CID 18988970) is phosphoric acid;trihydrate.
What is the SMILES notation for phosphoric acid;trihydrate?
The canonical SMILES for phosphoric acid;trihydrate is O.O.O.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;trihydrate?
The InChIKey is KWCHQJSISLQWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/H3O4P.3H2O/c1-5(2,3)4;;;/h(H3,1,2,3,4);3*1H2.
What are the key properties of phosphoric acid;trihydrate?
phosphoric acid;trihydrate has a molecular weight of 152.04 g/mol, XLogP of -3.40, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;trihydrate is sourced from PubChem (CID 18988970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).