trisodium;phosphate;dodecahydrate

H24Na3O16P — CID 516998

IUPACtrisodium;phosphate;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/3Na.H3O4P.12H2O/c;;;1-5(2,3)4;;;;;;;;;;;;/h;;;(H3,1,2,3,4);12*1H2/q3*+1;;;;;;;;;;;;;/p-3
InChIKeyASTWEMOBIXQPPV-UHFFFAOYSA-K
MW380.12 g/mol
LogP-21.71
Rot. Bonds

About trisodium;phosphate;dodecahydrate

trisodium;phosphate;dodecahydrate (PubChem CID 516998) has the molecular formula H24Na3O16P and a molecular weight of 380.12 g/mol. Its IUPAC name is trisodium;phosphate;dodecahydrate.

Molecular Properties

Compound Nametrisodium;phosphate;dodecahydrate
PubChem CID516998
Molecular FormulaH24Na3O16P
Molecular Weight380.12 g/mol
Exact Mass380.05
IUPAC Nametrisodium;phosphate;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/3Na.H3O4P.12H2O/c;;;1-5(2,3)4;;;;;;;;;;;;/h;;;(H3,1,2,3,4);12*1H2/q3*+1;;;;;;;;;;;;;/p-3
InChIKeyASTWEMOBIXQPPV-UHFFFAOYSA-K
XLogP-21.71
TPSA464.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.12
LogP ≤ 5-21.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trisodium;phosphate;pentahydrate
CID 19993446
sodium phosphate
CID 21225609
heptasodium;phosphate
CID 159686031
phosphate octahydrate
CID 22485829
trisodium;dodecakis(molybdenum(4+));(oxygen(2-));phosphate;dodecahydrate
CID 170850432
octacalcium;phosphate;pentahydrate
CID 22051766
azanium;sodium;phosphate
CID 22506365
tetrapotassium;sodium;phosphate
CID 172696103
tris(iron(2+));diphosphate;dihydrate
CID 162235567
dipotassium;disodium;phosphate
CID 160926550
sodium;cerium(3+);phosphate
CID 159028441
trisodium;dysprosium(3+);diphosphate
CID 6453280

Frequently Asked Questions

What is the IUPAC name of trisodium;phosphate;dodecahydrate?
The IUPAC name of trisodium;phosphate;dodecahydrate (CID 516998) is trisodium;phosphate;dodecahydrate.
What is the SMILES notation for trisodium;phosphate;dodecahydrate?
The canonical SMILES for trisodium;phosphate;dodecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;phosphate;dodecahydrate?
The InChIKey is ASTWEMOBIXQPPV-UHFFFAOYSA-K. The full InChI is InChI=1S/3Na.H3O4P.12H2O/c;;;1-5(2,3)4;;;;;;;;;;;;/h;;;(H3,1,2,3,4);12*1H2/q3*+1;;;;;;;;;;;;;/p-3.
What are the key properties of trisodium;phosphate;dodecahydrate?
trisodium;phosphate;dodecahydrate has a molecular weight of 380.12 g/mol, XLogP of -21.71, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;phosphate;dodecahydrate is sourced from PubChem (CID 516998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).