sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate

H29NaO20P2 — CID 160530469

IUPACsodium;dihydrogen phosphate;phosphoric acid;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=P(O)(O)O.O=P([O-])(O)O.[Na+]
InChIInChI=1S/Na.2H3O4P.12H2O/c;2*1-5(2,3)4;;;;;;;;;;;;/h;2*(H3,1,2,3,4);12*1H2/q+1;;;;;;;;;;;;;;/p-1
InChIKeyWYQOBKAVJUUPQG-UHFFFAOYSA-M
MW434.15 g/mol
LogP-15.38
Rot. Bonds

About sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate

sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate (PubChem CID 160530469) has the molecular formula H29NaO20P2 and a molecular weight of 434.15 g/mol. Its IUPAC name is sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate.

Molecular Properties

Compound Namesodium;dihydrogen phosphate;phosphoric acid;dodecahydrate
PubChem CID160530469
Molecular FormulaH29NaO20P2
Molecular Weight434.15 g/mol
Exact Mass434.06
IUPAC Namesodium;dihydrogen phosphate;phosphoric acid;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=P(O)(O)O.O=P([O-])(O)O.[Na+]
InChIInChI=1S/Na.2H3O4P.12H2O/c;2*1-5(2,3)4;;;;;;;;;;;;/h;2*(H3,1,2,3,4);12*1H2/q+1;;;;;;;;;;;;;;/p-1
InChIKeyWYQOBKAVJUUPQG-UHFFFAOYSA-M
XLogP-15.38
TPSA536.35 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.15
LogP ≤ 5-15.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;dihydrogen phosphate;pentahydrate
CID 141311131
sodium;tris(dihydrogen phosphate);hydron;phosphoric acid
CID 173335984
disodium;hydrogen phosphate;phosphoric acid;dodecahydrate
CID 174809343
sodium dihydroxy(32P)phosphinate
CID 23694678
potassium;disodium;dihydrogen phosphate;phosphoric acid;dihydroxide
CID 159576938
lithium;dihydrogen phosphate;dihydrate
CID 162740177
dipotassium;bis(dihydrogen phosphate);phosphoric acid
CID 19756002
disodium;dihydrogen phosphate;fluoride
CID 159057923
sodium;hydrogen phosphate;dodecahydrate
CID 18980410
tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate
CID 19757615
magnesium;dihydrogen phosphate;tetrahydrate
CID 23118847
lithium;dihydrogen phosphate;hydrate
CID 162740181

Frequently Asked Questions

What is the IUPAC name of sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate?
The IUPAC name of sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate (CID 160530469) is sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate.
What is the SMILES notation for sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate?
The canonical SMILES for sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O=P(O)(O)O.O=P([O-])(O)O.[Na+].
What is the InChIKey of sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate?
The InChIKey is WYQOBKAVJUUPQG-UHFFFAOYSA-M. The full InChI is InChI=1S/Na.2H3O4P.12H2O/c;2*1-5(2,3)4;;;;;;;;;;;;/h;2*(H3,1,2,3,4);12*1H2/q+1;;;;;;;;;;;;;;/p-1.
What are the key properties of sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate?
sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate has a molecular weight of 434.15 g/mol, XLogP of -15.38, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate is sourced from PubChem (CID 160530469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).