copper;1-hydroxypropane-1,1-disulfonic acid

C3H8CuO7S2 — CID 174846958

IUPACcopper;1-hydroxypropane-1,1-disulfonic acid
SMILESCCC(O)(S(=O)(=O)O)S(=O)(=O)O.[Cu]
InChIInChI=1S/C3H8O7S2.Cu/c1-2-3(4,11(5,6)7)12(8,9)10;/h4H,2H2,1H3,(H,5,6,7)(H,8,9,10);
InChIKeyQIIFAYUKHUABMP-UHFFFAOYSA-N
MW283.77 g/mol
LogP-1.18
Rot. Bonds3

About copper;1-hydroxypropane-1,1-disulfonic acid

copper;1-hydroxypropane-1,1-disulfonic acid (PubChem CID 174846958) has the molecular formula C3H8CuO7S2 and a molecular weight of 283.77 g/mol. Its IUPAC name is copper;1-hydroxypropane-1,1-disulfonic acid.

Molecular Properties

Compound Namecopper;1-hydroxypropane-1,1-disulfonic acid
PubChem CID174846958
Molecular FormulaC3H8CuO7S2
Molecular Weight283.77 g/mol
Exact Mass282.90
IUPAC Namecopper;1-hydroxypropane-1,1-disulfonic acid
SMILESCCC(O)(S(=O)(=O)O)S(=O)(=O)O.[Cu]
InChIInChI=1S/C3H8O7S2.Cu/c1-2-3(4,11(5,6)7)12(8,9)10;/h4H,2H2,1H3,(H,5,6,7)(H,8,9,10);
InChIKeyQIIFAYUKHUABMP-UHFFFAOYSA-N
XLogP-1.18
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze copper;1-hydroxypropane-1,1-disulfonic acid 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

3-ethylpentane-3-sulfonic acid
CID 20540424
1,1-diaminopropane-1-sulfonic acid
CID 87299428
sodium;3-ethylpentane-3-sulfonic acid;hydride
CID 173432345
3-hydroxypent-1-ene-3-sulfonic acid
CID 141483344
2-aminobutan-2-ol;azane;sulfuric acid
CID 174805988
ethanesulfonic acid;2-methylpropane-2-sulfonic acid
CID 88898016
2-aminobutan-2-ol;methanesulfonic acid;hydrochloride
CID 174426895
3-formylpentane-3-sulfonic acid
CID 174571660
CID 170307340
CID 170307340
ethanesulfonic acid;ethanethiol
CID 22731724
1-(dimethylamino)-1-hydroxypropane-1-sulfonic acid;ethyl 2-methylprop-2-enoate
CID 87169066
CID 88500193
CID 88500193

Frequently Asked Questions

What is the IUPAC name of copper;1-hydroxypropane-1,1-disulfonic acid?
The IUPAC name of copper;1-hydroxypropane-1,1-disulfonic acid (CID 174846958) is copper;1-hydroxypropane-1,1-disulfonic acid.
What is the SMILES notation for copper;1-hydroxypropane-1,1-disulfonic acid?
The canonical SMILES for copper;1-hydroxypropane-1,1-disulfonic acid is CCC(O)(S(=O)(=O)O)S(=O)(=O)O.[Cu].
What is the InChIKey of copper;1-hydroxypropane-1,1-disulfonic acid?
The InChIKey is QIIFAYUKHUABMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O7S2.Cu/c1-2-3(4,11(5,6)7)12(8,9)10;/h4H,2H2,1H3,(H,5,6,7)(H,8,9,10);.
What are the key properties of copper;1-hydroxypropane-1,1-disulfonic acid?
copper;1-hydroxypropane-1,1-disulfonic acid has a molecular weight of 283.77 g/mol, XLogP of -1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1-hydroxypropane-1,1-disulfonic acid is sourced from PubChem (CID 174846958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).