copper;2-hydroxy-5-sulfanylpentanoic acid

C5H10CuO3S — CID 87839246

IUPACcopper;2-hydroxy-5-sulfanylpentanoic acid
SMILESO=C(O)C(O)CCCS.[Cu]
InChIInChI=1S/C5H10O3S.Cu/c6-4(5(7)8)2-1-3-9;/h4,6,9H,1-3H2,(H,7,8);
InChIKeyJYSAGORECUZVRV-UHFFFAOYSA-N
MW213.74 g/mol
LogP0.14
Rot. Bonds4

About copper;2-hydroxy-5-sulfanylpentanoic acid

copper;2-hydroxy-5-sulfanylpentanoic acid (PubChem CID 87839246) has the molecular formula C5H10CuO3S and a molecular weight of 213.74 g/mol. Its IUPAC name is copper;2-hydroxy-5-sulfanylpentanoic acid.

Molecular Properties

Compound Namecopper;2-hydroxy-5-sulfanylpentanoic acid
PubChem CID87839246
Molecular FormulaC5H10CuO3S
Molecular Weight213.74 g/mol
Exact Mass212.96
IUPAC Namecopper;2-hydroxy-5-sulfanylpentanoic acid
SMILESO=C(O)C(O)CCCS.[Cu]
InChIInChI=1S/C5H10O3S.Cu/c6-4(5(7)8)2-1-3-9;/h4,6,9H,1-3H2,(H,7,8);
InChIKeyJYSAGORECUZVRV-UHFFFAOYSA-N
XLogP0.14
TPSA57.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.74
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,6,6-trihydroxyhexanoic acid
CID 141129041
2-hydroxy-4-sulfanylbutanoic acid;methane
CID 20975562
(2R)-2-hydroxyhexanoic acid
CID 6995511
2,10-dihydroxydecanoic acid
CID 23158566
2-hydroxyheptanoic acid
CID 2750949
carbonic acid;2-hydroxyhexanoic acid
CID 160541051
ethane;2-hydroxyhexanoic acid
CID 20976061
6-amino-2-hydroxyhexanoic acid
CID 517029
2-hydroxyheptanedioic acid
CID 160889869
2-hydroxyoctadecanoic acid
CID 87724091
2-hydroxynonanedioic acid
CID 12760708
2-hydroxydecanoic acid
CID 161255514

Frequently Asked Questions

What is the IUPAC name of copper;2-hydroxy-5-sulfanylpentanoic acid?
The IUPAC name of copper;2-hydroxy-5-sulfanylpentanoic acid (CID 87839246) is copper;2-hydroxy-5-sulfanylpentanoic acid.
What is the SMILES notation for copper;2-hydroxy-5-sulfanylpentanoic acid?
The canonical SMILES for copper;2-hydroxy-5-sulfanylpentanoic acid is O=C(O)C(O)CCCS.[Cu].
What is the InChIKey of copper;2-hydroxy-5-sulfanylpentanoic acid?
The InChIKey is JYSAGORECUZVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S.Cu/c6-4(5(7)8)2-1-3-9;/h4,6,9H,1-3H2,(H,7,8);.
What are the key properties of copper;2-hydroxy-5-sulfanylpentanoic acid?
copper;2-hydroxy-5-sulfanylpentanoic acid has a molecular weight of 213.74 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-hydroxy-5-sulfanylpentanoic acid is sourced from PubChem (CID 87839246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).