sodium;acetonitrile;hydron;phosphate

C2H5NNaO4P — CID 173290031

IUPACsodium;acetonitrile;hydron;phosphate
SMILESCC#N.O=P([O-])([O-])[O-].[H+].[H+].[Na+]
InChIInChI=1S/C2H3N.Na.H3O4P/c1-2-3;;1-5(2,3)4/h1H3;;(H3,1,2,3,4)/q;+1;/p-1
InChIKeyULJWXUZHULWYTB-UHFFFAOYSA-M
MW161.03 g/mol
LogP-5.07
Rot. Bonds

About sodium;acetonitrile;hydron;phosphate

sodium;acetonitrile;hydron;phosphate (PubChem CID 173290031) has the molecular formula C2H5NNaO4P and a molecular weight of 161.03 g/mol. Its IUPAC name is sodium;acetonitrile;hydron;phosphate.

Molecular Properties

Compound Namesodium;acetonitrile;hydron;phosphate
PubChem CID173290031
Molecular FormulaC2H5NNaO4P
Molecular Weight161.03 g/mol
Exact Mass160.99
IUPAC Namesodium;acetonitrile;hydron;phosphate
SMILESCC#N.O=P([O-])([O-])[O-].[H+].[H+].[Na+]
InChIInChI=1S/C2H3N.Na.H3O4P/c1-2-3;;1-5(2,3)4/h1H3;;(H3,1,2,3,4)/q;+1;/p-1
InChIKeyULJWXUZHULWYTB-UHFFFAOYSA-M
XLogP-5.07
TPSA110.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.03
LogP ≤ 5-5.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze sodium;acetonitrile;hydron;phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tripotassium;acetonitrile;phosphate
CID 162129988
tetracopper;tetrakis(acetonitrile);tetrakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 175388629
trisodium;phosphate;dodecahydrate
CID 516998
trisodium;phosphate;pentahydrate
CID 19993446
disodium;acetonitrile;hydrogen phosphate;propan-2-ol
CID 174970061
dioxouranium(2+);hydron;phosphate;hydrate
CID 173448097
dipotassium;trisodium;hydron;triphosphate
CID 173105953
hydron;phosphate
CID 19972274
sodium phosphate
CID 21225609
acetonitrile;hydron
CID 22154984
heptasodium;phosphate
CID 159686031
phosphate octahydrate
CID 22485829

Frequently Asked Questions

What is the IUPAC name of sodium;acetonitrile;hydron;phosphate?
The IUPAC name of sodium;acetonitrile;hydron;phosphate (CID 173290031) is sodium;acetonitrile;hydron;phosphate.
What is the SMILES notation for sodium;acetonitrile;hydron;phosphate?
The canonical SMILES for sodium;acetonitrile;hydron;phosphate is CC#N.O=P([O-])([O-])[O-].[H+].[H+].[Na+].
What is the InChIKey of sodium;acetonitrile;hydron;phosphate?
The InChIKey is ULJWXUZHULWYTB-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H3N.Na.H3O4P/c1-2-3;;1-5(2,3)4/h1H3;;(H3,1,2,3,4)/q;+1;/p-1.
What are the key properties of sodium;acetonitrile;hydron;phosphate?
sodium;acetonitrile;hydron;phosphate has a molecular weight of 161.03 g/mol, XLogP of -5.07, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetonitrile;hydron;phosphate is sourced from PubChem (CID 173290031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).