tetrakis(acetonitrile);nonakis(oxygen(2-));pentakis(triethylazanium);vanadium;tetrakis(vanadium(4+));tetrasulfate

C38H92N9O25S4V5-5 — CID 139173572

IUPACtetrakis(acetonitrile);nonakis(oxygen(2-));pentakis(triethylazanium);vanadium;tetrakis(vanadium(4+));tetrasulfate
SMILESCC#N.CC#N.CC#N.CC#N.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[V+4].[V+4].[V+4].[V+4].[V]
InChIInChI=1S/5C6H15N.4C2H3N.4H2O4S.9O.5V/c5*1-4-7(5-2)6-3;4*1-2-3;4*1-5(2,3)4;;;;;;;;;;;;;;/h5*4-6H2,1-3H3;4*1H3;4*(H2,1,2,3,4);;;;;;;;;;;;;;/q;;;;;;;;;;;;;9*-2;;4*+4/p-3
InChIKeyDZHXDMDJSLSDCY-UHFFFAOYSA-K
MW1458.18 g/mol
LogP-4.66
Rot. Bonds15

About tetrakis(acetonitrile);nonakis(oxygen(2-));pentakis(triethylazanium);vanadium;tetrakis(vanadium(4+));tetrasulfate

tetrakis(acetonitrile);nonakis(oxygen(2-));pentakis(triethylazanium);vanadium;tetrakis(vanadium(4+));tetrasulfate (PubChem CID 139173572) has the molecular formula C38H92N9O25S4V5-5 and a molecular weight of 1458.18 g/mol. Its IUPAC name is tetrakis(acetonitrile);nonakis(oxygen(2-));pentakis(triethylazanium);vanadium;tetrakis(vanadium(4+));tetrasulfate.

Molecular Properties

Compound Nametetrakis(acetonitrile);nonakis(oxygen(2-));pentakis(triethylazanium);vanadium;tetrakis(vanadium(4+));tetrasulfate
PubChem CID139173572
Molecular FormulaC38H92N9O25S4V5-5
Molecular Weight1458.18 g/mol
Exact Mass1457.23
IUPAC Nametetrakis(acetonitrile);nonakis(oxygen(2-));pentakis(triethylazanium);vanadium;tetrakis(vanadium(4+));tetrasulfate
SMILESCC#N.CC#N.CC#N.CC#N.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[V+4].[V+4].[V+4].[V+4].[V]
InChIInChI=1S/5C6H15N.4C2H3N.4H2O4S.9O.5V/c5*1-4-7(5-2)6-3;4*1-2-3;4*1-5(2,3)4;;;;;;;;;;;;;;/h5*4-6H2,1-3H3;4*1H3;4*(H2,1,2,3,4);;;;;;;;;;;;;;/q;;;;;;;;;;;;;9*-2;;4*+4/p-3
InChIKeyDZHXDMDJSLSDCY-UHFFFAOYSA-K
XLogP-4.66
TPSA694.90 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001458.18
LogP ≤ 5-4.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

acetonitrile;1-ethylsulfonylethane
CID 158338907
lithium triethylazanium
CID 58758998
1-aminoethanesulfonate;triethylazanium
CID 141340656
copper;acetonitrile;methanesulfonate;hydrofluoride
CID 174949440
cyanophosphonic acid;phosphonatoformonitrile;bis(triethylazanium)
CID 158186964
sodium;vanadium;trisulfate;hydrate
CID 158094000
tris(vanadium);pentasulfate
CID 173042063
sulfate trihydrate
CID 22613957
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;triethylazanium
CID 21470349
1,1,4,4,4-pentafluorobutane-1-sulfonate;triethylazanium
CID 165045362
N-(3-oxobutanoyl)sulfamate;triethylazanium
CID 11358019
sodium;ethanesulfonate;hydrate
CID 23680479

Frequently Asked Questions

What is the IUPAC name of tetrakis(acetonitrile);nonakis(oxygen(2-));pentakis(triethylazanium);vanadium;tetrakis(vanadium(4+));tetrasulfate?
The IUPAC name of tetrakis(acetonitrile);nonakis(oxygen(2-));pentakis(triethylazanium);vanadium;tetrakis(vanadium(4+));tetrasulfate (CID 139173572) is tetrakis(acetonitrile);nonakis(oxygen(2-));pentakis(triethylazanium);vanadium;tetrakis(vanadium(4+));tetrasulfate.
What is the SMILES notation for tetrakis(acetonitrile);nonakis(oxygen(2-));pentakis(triethylazanium);vanadium;tetrakis(vanadium(4+));tetrasulfate?
The canonical SMILES for tetrakis(acetonitrile);nonakis(oxygen(2-));pentakis(triethylazanium);vanadium;tetrakis(vanadium(4+));tetrasulfate is CC#N.CC#N.CC#N.CC#N.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[V+4].[V+4].[V+4].[V+4].[V].
What is the InChIKey of tetrakis(acetonitrile);nonakis(oxygen(2-));pentakis(triethylazanium);vanadium;tetrakis(vanadium(4+));tetrasulfate?
The InChIKey is DZHXDMDJSLSDCY-UHFFFAOYSA-K. The full InChI is InChI=1S/5C6H15N.4C2H3N.4H2O4S.9O.5V/c5*1-4-7(5-2)6-3;4*1-2-3;4*1-5(2,3)4;;;;;;;;;;;;;;/h5*4-6H2,1-3H3;4*1H3;4*(H2,1,2,3,4);;;;;;;;;;;;;;/q;;;;;;;;;;;;;9*-2;;4*+4/p-3.
What are the key properties of tetrakis(acetonitrile);nonakis(oxygen(2-));pentakis(triethylazanium);vanadium;tetrakis(vanadium(4+));tetrasulfate?
tetrakis(acetonitrile);nonakis(oxygen(2-));pentakis(triethylazanium);vanadium;tetrakis(vanadium(4+));tetrasulfate has a molecular weight of 1458.18 g/mol, XLogP of -4.66, 15 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(acetonitrile);nonakis(oxygen(2-));pentakis(triethylazanium);vanadium;tetrakis(vanadium(4+));tetrasulfate is sourced from PubChem (CID 139173572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).