trisodium;phosphoric acid;phosphate

H15Na3O24P6 — CID 172853200

IUPACtrisodium;phosphoric acid;phosphate
SMILESO=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/3Na.6H3O4P/c;;;6*1-5(2,3)4/h;;;6*(H3,1,2,3,4)/q3*+1;;;;;;/p-3
InChIKeyYIQQIIWLWZRFSM-UHFFFAOYSA-K
MW653.91 g/mol
LogP-16.46
Rot. Bonds

About trisodium;phosphoric acid;phosphate

trisodium;phosphoric acid;phosphate (PubChem CID 172853200) has the molecular formula H15Na3O24P6 and a molecular weight of 653.91 g/mol. Its IUPAC name is trisodium;phosphoric acid;phosphate.

Molecular Properties

Compound Nametrisodium;phosphoric acid;phosphate
PubChem CID172853200
Molecular FormulaH15Na3O24P6
Molecular Weight653.91 g/mol
Exact Mass653.81
IUPAC Nametrisodium;phosphoric acid;phosphate
SMILESO=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/3Na.6H3O4P/c;;;6*1-5(2,3)4/h;;;6*(H3,1,2,3,4)/q3*+1;;;;;;/p-3
InChIKeyYIQQIIWLWZRFSM-UHFFFAOYSA-K
XLogP-16.46
TPSA475.05 Ų
H-Bond Donors15
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.91
LogP ≤ 5-16.46
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

calcium;sodium;phosphoric acid;phosphate
CID 173179477
pentasodium;hydrogen phosphate;phosphoric acid;phosphate
CID 158487659
trilithium;phosphoric acid;phosphate
CID 158468021
decaaluminum;phosphoric acid;decaphosphate
CID 173424288
triazanium;phosphoric acid;phosphate
CID 18943137
triacontacalcium;phosphoric acid;icosaphosphate
CID 173080509
diazanium;potassium;phosphoric acid;phosphate
CID 172814489
CID 173388644
CID 173388644
dipotassium;trisodium;hydrogen phosphate;phosphate
CID 22665013
sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate
CID 160530469
lithium;magnesium;phosphoric acid;phosphate
CID 172683948
trilithium;phosphane;phosphoric acid;phosphate
CID 172777858

Frequently Asked Questions

What is the IUPAC name of trisodium;phosphoric acid;phosphate?
The IUPAC name of trisodium;phosphoric acid;phosphate (CID 172853200) is trisodium;phosphoric acid;phosphate.
What is the SMILES notation for trisodium;phosphoric acid;phosphate?
The canonical SMILES for trisodium;phosphoric acid;phosphate is O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;phosphoric acid;phosphate?
The InChIKey is YIQQIIWLWZRFSM-UHFFFAOYSA-K. The full InChI is InChI=1S/3Na.6H3O4P/c;;;6*1-5(2,3)4/h;;;6*(H3,1,2,3,4)/q3*+1;;;;;;/p-3.
What are the key properties of trisodium;phosphoric acid;phosphate?
trisodium;phosphoric acid;phosphate has a molecular weight of 653.91 g/mol, XLogP of -16.46, 0 rotatable bonds, 15 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;phosphoric acid;phosphate is sourced from PubChem (CID 172853200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).