copper;2,3-dihydroxypropanoate;sulfate

C3H5CuO8S-3 — CID 158883106

IUPACcopper;2,3-dihydroxypropanoate;sulfate
SMILESO=C([O-])C(O)CO.O=S(=O)([O-])[O-].[Cu]
InChIInChI=1S/C3H6O4.Cu.H2O4S/c4-1-2(5)3(6)7;;1-5(2,3)4/h2,4-5H,1H2,(H,6,7);;(H2,1,2,3,4)/p-3
InChIKeyAHRYRAUHBNBIIL-UHFFFAOYSA-K
MW264.68 g/mol
LogP-4.25
Rot. Bonds2

About copper;2,3-dihydroxypropanoate;sulfate

copper;2,3-dihydroxypropanoate;sulfate (PubChem CID 158883106) has the molecular formula C3H5CuO8S-3 and a molecular weight of 264.68 g/mol. Its IUPAC name is copper;2,3-dihydroxypropanoate;sulfate.

Molecular Properties

Compound Namecopper;2,3-dihydroxypropanoate;sulfate
PubChem CID158883106
Molecular FormulaC3H5CuO8S-3
Molecular Weight264.68 g/mol
Exact Mass263.90
IUPAC Namecopper;2,3-dihydroxypropanoate;sulfate
SMILESO=C([O-])C(O)CO.O=S(=O)([O-])[O-].[Cu]
InChIInChI=1S/C3H6O4.Cu.H2O4S/c4-1-2(5)3(6)7;;1-5(2,3)4/h2,4-5H,1H2,(H,6,7);;(H2,1,2,3,4)/p-3
InChIKeyAHRYRAUHBNBIIL-UHFFFAOYSA-K
XLogP-4.25
TPSA160.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.68
LogP ≤ 5-4.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze copper;2,3-dihydroxypropanoate;sulfate 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

cadmium(2+);bis(2,3-dihydroxypropanoate)
CID 175584526
2,3-dihydroxypropanoate triacetate
CID 22325987
2,3-dihydroxybutanedioate;iron(6+);disulfate
CID 172847338
dicalcium;2,3-dihydroxybutanedioate;sulfate
CID 175489646
lithium 3-fluoro-2-hydroxypropanoate
CID 167714302
disilver;2-hydroxybutanedioate
CID 14299093
zinc;2-hydroxypropanoate;sulfate
CID 86732976
tetrakis(hydroxymethyl)phosphanium;urea;sulfate
CID 156595491
(4S)-1,2,4,5-tetrahydroxypentan-3-one
CID 54455604
dilithium;ethane-1,2-diol;sulfate
CID 162076441
aluminum;lithium;carbonate;sulfate
CID 159509946
lithium 2-hydroxy-3-methoxypropanoate
CID 59108825

Frequently Asked Questions

What is the IUPAC name of copper;2,3-dihydroxypropanoate;sulfate?
The IUPAC name of copper;2,3-dihydroxypropanoate;sulfate (CID 158883106) is copper;2,3-dihydroxypropanoate;sulfate.
What is the SMILES notation for copper;2,3-dihydroxypropanoate;sulfate?
The canonical SMILES for copper;2,3-dihydroxypropanoate;sulfate is O=C([O-])C(O)CO.O=S(=O)([O-])[O-].[Cu].
What is the InChIKey of copper;2,3-dihydroxypropanoate;sulfate?
The InChIKey is AHRYRAUHBNBIIL-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H6O4.Cu.H2O4S/c4-1-2(5)3(6)7;;1-5(2,3)4/h2,4-5H,1H2,(H,6,7);;(H2,1,2,3,4)/p-3.
What are the key properties of copper;2,3-dihydroxypropanoate;sulfate?
copper;2,3-dihydroxypropanoate;sulfate has a molecular weight of 264.68 g/mol, XLogP of -4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2,3-dihydroxypropanoate;sulfate is sourced from PubChem (CID 158883106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).