4-[(3-carboxy-3-hydroxypropyl)diselanyl]-2-hydroxybutanoic acid

C8H14O6Se2 — CID 58641028

IUPAC4-[(3-carboxy-3-hydroxypropyl)diselanyl]-2-hydroxybutanoic acid
SMILESO=C(O)C(O)CC[Se][Se]CCC(O)C(=O)O
InChIInChI=1S/C8H14O6Se2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6,9-10H,1-4H2,(H,11,12)(H,13,14)
InChIKeyFRDVUUPTHJMKLU-UHFFFAOYSA-N
MW364.11 g/mol
LogP-1.18
Rot. Bonds9

About 4-[(3-carboxy-3-hydroxypropyl)diselanyl]-2-hydroxybutanoic acid

4-[(3-carboxy-3-hydroxypropyl)diselanyl]-2-hydroxybutanoic acid (PubChem CID 58641028) has the molecular formula C8H14O6Se2 and a molecular weight of 364.11 g/mol. Its IUPAC name is 4-[(3-carboxy-3-hydroxypropyl)diselanyl]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(3-carboxy-3-hydroxypropyl)diselanyl]-2-hydroxybutanoic acid
PubChem CID58641028
Molecular FormulaC8H14O6Se2
Molecular Weight364.11 g/mol
Exact Mass365.91
IUPAC Name4-[(3-carboxy-3-hydroxypropyl)diselanyl]-2-hydroxybutanoic acid
SMILESO=C(O)C(O)CC[Se][Se]CCC(O)C(=O)O
InChIInChI=1S/C8H14O6Se2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6,9-10H,1-4H2,(H,11,12)(H,13,14)
InChIKeyFRDVUUPTHJMKLU-UHFFFAOYSA-N
XLogP-1.18
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.11
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(3-carboxy-3-hydroxypropyl)diselanyl]-2-hydroxybutanoic 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

2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid
CID 24496
2,6,6-trihydroxyhexanoic acid
CID 141129041
2-hydroxy-4-sulfanylbutanoic acid;methane
CID 20975562
2,5-dihydroxyhexanoic acid
CID 18424665
(2R)-2-hydroxypentanedioic acid;hydrate
CID 141372843
2-hydroxytetradecanoic acid;titanium
CID 174290276
(2R)-2-hydroxyhexanoic acid
CID 6995511
sodium;hydride;(2R)-2-hydroxypentanedioic acid
CID 174887046
(2S)-2-hydroxy-4-(hydroxyamino)butanoic acid
CID 141435473
2,10-dihydroxydecanoic acid
CID 23158566
2-hydroxyheptanoic acid
CID 2750949
2-hydroxypentanedioic acid;urea
CID 175478828

Frequently Asked Questions

What is the IUPAC name of 4-[(3-carboxy-3-hydroxypropyl)diselanyl]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(3-carboxy-3-hydroxypropyl)diselanyl]-2-hydroxybutanoic acid (CID 58641028) is 4-[(3-carboxy-3-hydroxypropyl)diselanyl]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(3-carboxy-3-hydroxypropyl)diselanyl]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(3-carboxy-3-hydroxypropyl)diselanyl]-2-hydroxybutanoic acid is O=C(O)C(O)CC[Se][Se]CCC(O)C(=O)O.
What is the InChIKey of 4-[(3-carboxy-3-hydroxypropyl)diselanyl]-2-hydroxybutanoic acid?
The InChIKey is FRDVUUPTHJMKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6Se2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6,9-10H,1-4H2,(H,11,12)(H,13,14).
What are the key properties of 4-[(3-carboxy-3-hydroxypropyl)diselanyl]-2-hydroxybutanoic acid?
4-[(3-carboxy-3-hydroxypropyl)diselanyl]-2-hydroxybutanoic acid has a molecular weight of 364.11 g/mol, XLogP of -1.18, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-carboxy-3-hydroxypropyl)diselanyl]-2-hydroxybutanoic acid is sourced from PubChem (CID 58641028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).