trisodium;phosphate;pentahydrate

H10Na3O9P — CID 19993446

IUPACtrisodium;phosphate;pentahydrate
SMILESO.O.O.O.O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/3Na.H3O4P.5H2O/c;;;1-5(2,3)4;;;;;/h;;;(H3,1,2,3,4);5*1H2/q3*+1;;;;;;/p-3
InChIKeyPFCOUPIDPDVHOZ-UHFFFAOYSA-K
MW254.01 g/mol
LogP-15.94
Rot. Bonds

About trisodium;phosphate;pentahydrate

trisodium;phosphate;pentahydrate (PubChem CID 19993446) has the molecular formula H10Na3O9P and a molecular weight of 254.01 g/mol. Its IUPAC name is trisodium;phosphate;pentahydrate.

Molecular Properties

Compound Nametrisodium;phosphate;pentahydrate
PubChem CID19993446
Molecular FormulaH10Na3O9P
Molecular Weight254.01 g/mol
Exact Mass253.98
IUPAC Nametrisodium;phosphate;pentahydrate
SMILESO.O.O.O.O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/3Na.H3O4P.5H2O/c;;;1-5(2,3)4;;;;;/h;;;(H3,1,2,3,4);5*1H2/q3*+1;;;;;;/p-3
InChIKeyPFCOUPIDPDVHOZ-UHFFFAOYSA-K
XLogP-15.94
TPSA243.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.01
LogP ≤ 5-15.94
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;dodecahydrate
CID 516998
sodium phosphate
CID 21225609
heptasodium;phosphate
CID 159686031
phosphate octahydrate
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trisodium;dodecakis(molybdenum(4+));(oxygen(2-));phosphate;dodecahydrate
CID 170850432
octacalcium;phosphate;pentahydrate
CID 22051766
sodium;tin(4+);phosphate
CID 160930212
azanium;sodium;phosphate
CID 22506365
tetrapotassium;sodium;phosphate
CID 172696103
tris(iron(2+));diphosphate;dihydrate
CID 162235567
dipotassium;disodium;phosphate
CID 160926550
nonacalcium;trisodium;heptaphosphate
CID 173013514

Frequently Asked Questions

What is the IUPAC name of trisodium;phosphate;pentahydrate?
The IUPAC name of trisodium;phosphate;pentahydrate (CID 19993446) is trisodium;phosphate;pentahydrate.
What is the SMILES notation for trisodium;phosphate;pentahydrate?
The canonical SMILES for trisodium;phosphate;pentahydrate is O.O.O.O.O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;phosphate;pentahydrate?
The InChIKey is PFCOUPIDPDVHOZ-UHFFFAOYSA-K. The full InChI is InChI=1S/3Na.H3O4P.5H2O/c;;;1-5(2,3)4;;;;;/h;;;(H3,1,2,3,4);5*1H2/q3*+1;;;;;;/p-3.
What are the key properties of trisodium;phosphate;pentahydrate?
trisodium;phosphate;pentahydrate has a molecular weight of 254.01 g/mol, XLogP of -15.94, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;phosphate;pentahydrate is sourced from PubChem (CID 19993446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).