trisodium;phosphate;dihydrate

H4Na3O6P — CID 18623014

IUPACtrisodium;phosphate;dihydrate
SMILESO.O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/3Na.H3O4P.2H2O/c;;;1-5(2,3)4;;/h;;;(H3,1,2,3,4);2*1H2/q3*+1;;;/p-3
InChIKeyCRKADHVTAQCXRA-UHFFFAOYSA-K
MW199.97 g/mol
LogP-13.46
Rot. Bonds

About trisodium;phosphate;dihydrate

trisodium;phosphate;dihydrate (PubChem CID 18623014) has the molecular formula H4Na3O6P and a molecular weight of 199.97 g/mol. Its IUPAC name is trisodium;phosphate;dihydrate.

Molecular Properties

Compound Nametrisodium;phosphate;dihydrate
PubChem CID18623014
Molecular FormulaH4Na3O6P
Molecular Weight199.97 g/mol
Exact Mass199.94
IUPAC Nametrisodium;phosphate;dihydrate
SMILESO.O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/3Na.H3O4P.2H2O/c;;;1-5(2,3)4;;/h;;;(H3,1,2,3,4);2*1H2/q3*+1;;;/p-3
InChIKeyCRKADHVTAQCXRA-UHFFFAOYSA-K
XLogP-13.46
TPSA149.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.97
LogP ≤ 5-13.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trisodium;phosphate;dihydrate?
The IUPAC name of trisodium;phosphate;dihydrate (CID 18623014) is trisodium;phosphate;dihydrate.
What is the SMILES notation for trisodium;phosphate;dihydrate?
The canonical SMILES for trisodium;phosphate;dihydrate is O.O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;phosphate;dihydrate?
The InChIKey is CRKADHVTAQCXRA-UHFFFAOYSA-K. The full InChI is InChI=1S/3Na.H3O4P.2H2O/c;;;1-5(2,3)4;;/h;;;(H3,1,2,3,4);2*1H2/q3*+1;;;/p-3.
What are the key properties of trisodium;phosphate;dihydrate?
trisodium;phosphate;dihydrate has a molecular weight of 199.97 g/mol, XLogP of -13.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;phosphate;dihydrate is sourced from PubChem (CID 18623014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).