5-hydroxy-6-phenylselanylhexacosanoic acid

C32H56O3Se — CID 88711579

IUPAC5-hydroxy-6-phenylselanylhexacosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCC([Se]c1ccccc1)C(O)CCCC(=O)O
InChIInChI=1S/C32H56O3Se/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-31(30(33)26-23-28-32(34)35)36-29-24-20-19-21-25-29/h19-21,24-25,30-31,33H,2-18,22-23,26-28H2,1H3,(H,34,35)
InChIKeyZMEAPBJUNRATSG-UHFFFAOYSA-N
MW567.76 g/mol
LogP8.85
Rot. Bonds26

About 5-hydroxy-6-phenylselanylhexacosanoic acid

5-hydroxy-6-phenylselanylhexacosanoic acid (PubChem CID 88711579) has the molecular formula C32H56O3Se and a molecular weight of 567.76 g/mol. Its IUPAC name is 5-hydroxy-6-phenylselanylhexacosanoic acid.

Molecular Properties

Compound Name5-hydroxy-6-phenylselanylhexacosanoic acid
PubChem CID88711579
Molecular FormulaC32H56O3Se
Molecular Weight567.76 g/mol
Exact Mass568.34
IUPAC Name5-hydroxy-6-phenylselanylhexacosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCC([Se]c1ccccc1)C(O)CCCC(=O)O
InChIInChI=1S/C32H56O3Se/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-31(30(33)26-23-28-32(34)35)36-29-24-20-19-21-25-29/h19-21,24-25,30-31,33H,2-18,22-23,26-28H2,1H3,(H,34,35)
InChIKeyZMEAPBJUNRATSG-UHFFFAOYSA-N
XLogP8.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.76
LogP ≤ 58.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-hydroxy-6-phenylselanylhexacosanoic 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

10-chloro-9-phenylselanyloctadecanoic acid
CID 102427331
5,6-dihydroxyoctadecanoic acid
CID 5282926
(7S,8S)-7,8-dihydroxytetradecanoic acid
CID 101332605
(9R,10S)-10-anilino-9-hydroxyoctadecanoic acid
CID 98129974
1-phenylselanylheptylselanylbenzene
CID 10993276
11-phenyloctadecanoic acid
CID 101320092
6-phenyloctadecanoic acid
CID 56981512
5-hydroxyhexadecanoic acid
CID 5312761
8-[5-(1-phenylselanylhexyl)oxolan-2-yl]octanoic acid
CID 10939370
5-hydroxy-12-phenylmethoxyoctadecanoic acid
CID 101300355
13-benzoyloxy-12-hydroxyoctadecanoic acid
CID 139317358
5-hydroxydecanoic acid
CID 161390265

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-phenylselanylhexacosanoic acid?
The IUPAC name of 5-hydroxy-6-phenylselanylhexacosanoic acid (CID 88711579) is 5-hydroxy-6-phenylselanylhexacosanoic acid.
What is the SMILES notation for 5-hydroxy-6-phenylselanylhexacosanoic acid?
The canonical SMILES for 5-hydroxy-6-phenylselanylhexacosanoic acid is CCCCCCCCCCCCCCCCCCCCC([Se]c1ccccc1)C(O)CCCC(=O)O.
What is the InChIKey of 5-hydroxy-6-phenylselanylhexacosanoic acid?
The InChIKey is ZMEAPBJUNRATSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56O3Se/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-31(30(33)26-23-28-32(34)35)36-29-24-20-19-21-25-29/h19-21,24-25,30-31,33H,2-18,22-23,26-28H2,1H3,(H,34,35).
What are the key properties of 5-hydroxy-6-phenylselanylhexacosanoic acid?
5-hydroxy-6-phenylselanylhexacosanoic acid has a molecular weight of 567.76 g/mol, XLogP of 8.85, 26 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-phenylselanylhexacosanoic acid is sourced from PubChem (CID 88711579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).