Glutathioselenol

C10H16N3O6SSe — CID 53297413

IUPAC—
SMILESN[C@@H](CCC(=O)N[C@@H](CS[Se])C(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C10H16N3O6SSe/c11-5(10(18)19)1-2-7(14)13-6(4-20-21)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyKAWPMBUMOSHIOP-WDSKDSINSA-N
MW385.28 g/mol
LogP-2.32
Rot. Bonds10

About Glutathioselenol

Glutathioselenol (PubChem CID 53297413) has the molecular formula C10H16N3O6SSe and a molecular weight of 385.28 g/mol.

Molecular Properties

Compound NameGlutathioselenol
PubChem CID53297413
Molecular FormulaC10H16N3O6SSe
Molecular Weight385.28 g/mol
Exact Mass385.99
IUPAC Name—
SMILESN[C@@H](CCC(=O)N[C@@H](CS[Se])C(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C10H16N3O6SSe/c11-5(10(18)19)1-2-7(14)13-6(4-20-21)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyKAWPMBUMOSHIOP-WDSKDSINSA-N
XLogP-2.32
TPSA158.82 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.28
LogP ≤ 5-2.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze Glutathioselenol 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

Glutathione Disulfide
CID 65359
Glutathione
CID 124886
S-Nitrosoglutathione
CID 104858
L-Alanyl-L-Glutamine
CID 123935
Gamma-L-Glutamyl-L-cysteine
CID 123938
Glycyl-L-glutamine
CID 123913
Darinaparsin
CID 11683005
L-gamma-Glutamyl-S-hexyl-L-cysteinylglycine
CID 97536
S-Methylglutathione
CID 115260
Glu-Glu
CID 439500
gamma-Glutamyl-Se-methylselenocysteine
CID 440760
Gamma-Glutamylglutamine
CID 150914

Frequently Asked Questions

What is the IUPAC name of Glutathioselenol?
The IUPAC name of Glutathioselenol (CID 53297413) is not available.
What is the SMILES notation for Glutathioselenol?
The canonical SMILES for Glutathioselenol is N[C@@H](CCC(=O)N[C@@H](CS[Se])C(=O)NCC(=O)O)C(=O)O.
What is the InChIKey of Glutathioselenol?
The InChIKey is KAWPMBUMOSHIOP-WDSKDSINSA-N. The full InChI is InChI=1S/C10H16N3O6SSe/c11-5(10(18)19)1-2-7(14)13-6(4-20-21)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1.
What are the key properties of Glutathioselenol?
Glutathioselenol has a molecular weight of 385.28 g/mol, XLogP of -2.32, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Glutathioselenol is sourced from PubChem (CID 53297413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).