oxygen(2-);1,10-phenanthroline;vanadium(4+);sulfate

C12H8N2O5SV — CID 11595345

IUPACoxygen(2-);1,10-phenanthroline;vanadium(4+);sulfate
SMILESO=S(=O)([O-])[O-].[O-2].[V+4].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.H2O4S.O.V/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-5(2,3)4;;/h1-8H;(H2,1,2,3,4);;/q;;-2;+4/p-2
InChIKeyPLSNNUAYJNXEGD-UHFFFAOYSA-L
MW343.22 g/mol
LogP1.32
Rot. Bonds

About oxygen(2-);1,10-phenanthroline;vanadium(4+);sulfate

oxygen(2-);1,10-phenanthroline;vanadium(4+);sulfate (PubChem CID 11595345) has the molecular formula C12H8N2O5SV and a molecular weight of 343.22 g/mol. Its IUPAC name is oxygen(2-);1,10-phenanthroline;vanadium(4+);sulfate.

Molecular Properties

Compound Nameoxygen(2-);1,10-phenanthroline;vanadium(4+);sulfate
PubChem CID11595345
Molecular FormulaC12H8N2O5SV
Molecular Weight343.22 g/mol
Exact Mass342.96
IUPAC Nameoxygen(2-);1,10-phenanthroline;vanadium(4+);sulfate
SMILESO=S(=O)([O-])[O-].[O-2].[V+4].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.H2O4S.O.V/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-5(2,3)4;;/h1-8H;(H2,1,2,3,4);;/q;;-2;+4/p-2
InChIKeyPLSNNUAYJNXEGD-UHFFFAOYSA-L
XLogP1.32
TPSA134.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

tetrapotassium;bis(quinolin-8-olate);sulfate
CID 170905215
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
dipotassium;quinolin-8-ol;sulfate
CID 24820574
bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate
CID 139076364
lead(2+);bis(1,10-phenanthroline);dinitrate
CID 139206065
sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate
CID 139178820

Frequently Asked Questions

What is the IUPAC name of oxygen(2-);1,10-phenanthroline;vanadium(4+);sulfate?
The IUPAC name of oxygen(2-);1,10-phenanthroline;vanadium(4+);sulfate (CID 11595345) is oxygen(2-);1,10-phenanthroline;vanadium(4+);sulfate.
What is the SMILES notation for oxygen(2-);1,10-phenanthroline;vanadium(4+);sulfate?
The canonical SMILES for oxygen(2-);1,10-phenanthroline;vanadium(4+);sulfate is O=S(=O)([O-])[O-].[O-2].[V+4].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of oxygen(2-);1,10-phenanthroline;vanadium(4+);sulfate?
The InChIKey is PLSNNUAYJNXEGD-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2.H2O4S.O.V/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-5(2,3)4;;/h1-8H;(H2,1,2,3,4);;/q;;-2;+4/p-2.
What are the key properties of oxygen(2-);1,10-phenanthroline;vanadium(4+);sulfate?
oxygen(2-);1,10-phenanthroline;vanadium(4+);sulfate has a molecular weight of 343.22 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxygen(2-);1,10-phenanthroline;vanadium(4+);sulfate is sourced from PubChem (CID 11595345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).