trisodium;propan-2-ol;phosphate

C3H8Na3O5P — CID 174993570

IUPACtrisodium;propan-2-ol;phosphate
SMILESCC(C)O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C3H8O.3Na.H3O4P/c1-3(2)4;;;;1-5(2,3)4/h3-4H,1-2H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyRUMJUSHQYHNJRA-UHFFFAOYSA-K
MW224.04 g/mol
LogP-11.43
Rot. Bonds

About trisodium;propan-2-ol;phosphate

trisodium;propan-2-ol;phosphate (PubChem CID 174993570) has the molecular formula C3H8Na3O5P and a molecular weight of 224.04 g/mol. Its IUPAC name is trisodium;propan-2-ol;phosphate.

Molecular Properties

Compound Nametrisodium;propan-2-ol;phosphate
PubChem CID174993570
Molecular FormulaC3H8Na3O5P
Molecular Weight224.04 g/mol
Exact Mass223.98
IUPAC Nametrisodium;propan-2-ol;phosphate
SMILESCC(C)O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C3H8O.3Na.H3O4P/c1-3(2)4;;;;1-5(2,3)4/h3-4H,1-2H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyRUMJUSHQYHNJRA-UHFFFAOYSA-K
XLogP-11.43
TPSA106.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.04
LogP ≤ 5-11.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of trisodium;propan-2-ol;phosphate?
The IUPAC name of trisodium;propan-2-ol;phosphate (CID 174993570) is trisodium;propan-2-ol;phosphate.
What is the SMILES notation for trisodium;propan-2-ol;phosphate?
The canonical SMILES for trisodium;propan-2-ol;phosphate is CC(C)O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;propan-2-ol;phosphate?
The InChIKey is RUMJUSHQYHNJRA-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H8O.3Na.H3O4P/c1-3(2)4;;;;1-5(2,3)4/h3-4H,1-2H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3.
What are the key properties of trisodium;propan-2-ol;phosphate?
trisodium;propan-2-ol;phosphate has a molecular weight of 224.04 g/mol, XLogP of -11.43, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;propan-2-ol;phosphate is sourced from PubChem (CID 174993570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).