tripotassium;acetonitrile;phosphate

C2H3K3NO4P — CID 162129988

IUPACtripotassium;acetonitrile;phosphate
SMILESCC#N.O=P([O-])([O-])[O-].[K+].[K+].[K+]
InChIInChI=1S/C2H3N.3K.H3O4P/c1-2-3;;;;1-5(2,3)4/h1H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyZINONDKGHWAOCU-UHFFFAOYSA-K
MW253.32 g/mol
LogP-11.28
Rot. Bonds

About tripotassium;acetonitrile;phosphate

tripotassium;acetonitrile;phosphate (PubChem CID 162129988) has the molecular formula C2H3K3NO4P and a molecular weight of 253.32 g/mol. Its IUPAC name is tripotassium;acetonitrile;phosphate.

Molecular Properties

Compound Nametripotassium;acetonitrile;phosphate
PubChem CID162129988
Molecular FormulaC2H3K3NO4P
Molecular Weight253.32 g/mol
Exact Mass252.87
IUPAC Nametripotassium;acetonitrile;phosphate
SMILESCC#N.O=P([O-])([O-])[O-].[K+].[K+].[K+]
InChIInChI=1S/C2H3N.3K.H3O4P/c1-2-3;;;;1-5(2,3)4/h1H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyZINONDKGHWAOCU-UHFFFAOYSA-K
XLogP-11.28
TPSA110.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-11.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium;acetonitrile;hydron;phosphate
CID 173290031
tetracopper;tetrakis(acetonitrile);tetrakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 175388629
calcium;potassium;phosphate;hydrate
CID 142707779
dipotassium diphosphate
CID 18612384
tripotassium diphosphate
CID 22035217
phosphate octahydrate
CID 22485829
tetrapotassium;cyanide;phosphate
CID 173169891
disodium;acetonitrile;hydrogen phosphate;propan-2-ol
CID 174970061
tripotassium;cerium(3+);diphosphate
CID 133065496
tetrapotassium;sodium;phosphate
CID 172696103
dipotassium;zinc;diphosphate
CID 11970412
potassium;antimony(3+);phosphate
CID 161486980

Frequently Asked Questions

What is the IUPAC name of tripotassium;acetonitrile;phosphate?
The IUPAC name of tripotassium;acetonitrile;phosphate (CID 162129988) is tripotassium;acetonitrile;phosphate.
What is the SMILES notation for tripotassium;acetonitrile;phosphate?
The canonical SMILES for tripotassium;acetonitrile;phosphate is CC#N.O=P([O-])([O-])[O-].[K+].[K+].[K+].
What is the InChIKey of tripotassium;acetonitrile;phosphate?
The InChIKey is ZINONDKGHWAOCU-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H3N.3K.H3O4P/c1-2-3;;;;1-5(2,3)4/h1H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3.
What are the key properties of tripotassium;acetonitrile;phosphate?
tripotassium;acetonitrile;phosphate has a molecular weight of 253.32 g/mol, XLogP of -11.28, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;acetonitrile;phosphate is sourced from PubChem (CID 162129988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).