2-oxopropanoate;oxygen(2-);vanadium(4+);acetate

C5H6O6V — CID 53371459

IUPAC2-oxopropanoate;oxygen(2-);vanadium(4+);acetate
SMILESCC(=O)C(=O)[O-].CC(=O)[O-].[O-2].[V+4]
InChIInChI=1S/C3H4O3.C2H4O2.O.V/c1-2(4)3(5)6;1-2(3)4;;/h1H3,(H,5,6);1H3,(H,3,4);;/q;;-2;+4/p-2
InChIKeyBXHHKQOAMRVRNX-UHFFFAOYSA-L
MW213.04 g/mol
LogP-3.04
Rot. Bonds1

About 2-oxopropanoate;oxygen(2-);vanadium(4+);acetate

2-oxopropanoate;oxygen(2-);vanadium(4+);acetate (PubChem CID 53371459) has the molecular formula C5H6O6V and a molecular weight of 213.04 g/mol. Its IUPAC name is 2-oxopropanoate;oxygen(2-);vanadium(4+);acetate.

Molecular Properties

Compound Name2-oxopropanoate;oxygen(2-);vanadium(4+);acetate
PubChem CID53371459
Molecular FormulaC5H6O6V
Molecular Weight213.04 g/mol
Exact Mass212.96
IUPAC Name2-oxopropanoate;oxygen(2-);vanadium(4+);acetate
SMILESCC(=O)C(=O)[O-].CC(=O)[O-].[O-2].[V+4]
InChIInChI=1S/C3H4O3.C2H4O2.O.V/c1-2(4)3(5)6;1-2(3)4;;/h1H3,(H,5,6);1H3,(H,3,4);;/q;;-2;+4/p-2
InChIKeyBXHHKQOAMRVRNX-UHFFFAOYSA-L
XLogP-3.04
TPSA125.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.04
LogP ≤ 5-3.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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oxygen(2-);tris(ruthenium(3+));heptaacetate
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potassium;sodium;diacetate
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potassium;methanol;acetate
CID 87290228
potassium;dichlorocopper;acetate
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potassium;gold;palladium;acetate
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dipotassium;acetic acid;diacetate
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cerium(3+);oxygen(2-);acetate;hydrate
CID 172680017
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CID 157121376

Frequently Asked Questions

What is the IUPAC name of 2-oxopropanoate;oxygen(2-);vanadium(4+);acetate?
The IUPAC name of 2-oxopropanoate;oxygen(2-);vanadium(4+);acetate (CID 53371459) is 2-oxopropanoate;oxygen(2-);vanadium(4+);acetate.
What is the SMILES notation for 2-oxopropanoate;oxygen(2-);vanadium(4+);acetate?
The canonical SMILES for 2-oxopropanoate;oxygen(2-);vanadium(4+);acetate is CC(=O)C(=O)[O-].CC(=O)[O-].[O-2].[V+4].
What is the InChIKey of 2-oxopropanoate;oxygen(2-);vanadium(4+);acetate?
The InChIKey is BXHHKQOAMRVRNX-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H4O3.C2H4O2.O.V/c1-2(4)3(5)6;1-2(3)4;;/h1H3,(H,5,6);1H3,(H,3,4);;/q;;-2;+4/p-2.
What are the key properties of 2-oxopropanoate;oxygen(2-);vanadium(4+);acetate?
2-oxopropanoate;oxygen(2-);vanadium(4+);acetate has a molecular weight of 213.04 g/mol, XLogP of -3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropanoate;oxygen(2-);vanadium(4+);acetate is sourced from PubChem (CID 53371459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).