2-hydroxy-2-(2-hydroxypropanoyl)-4-oxohenicosanoic acid

C24H44O6 — CID 21087817

IUPAC2-hydroxy-2-(2-hydroxypropanoyl)-4-oxohenicosanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)CC(O)(C(=O)O)C(=O)C(C)O
InChIInChI=1S/C24H44O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(26)19-24(30,23(28)29)22(27)20(2)25/h20,25,30H,3-19H2,1-2H3,(H,28,29)
InChIKeyGWHPVDZBTMONLU-UHFFFAOYSA-N
MW428.61 g/mol
LogP4.97
Rot. Bonds21

About 2-hydroxy-2-(2-hydroxypropanoyl)-4-oxohenicosanoic acid

2-hydroxy-2-(2-hydroxypropanoyl)-4-oxohenicosanoic acid (PubChem CID 21087817) has the molecular formula C24H44O6 and a molecular weight of 428.61 g/mol. Its IUPAC name is 2-hydroxy-2-(2-hydroxypropanoyl)-4-oxohenicosanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-(2-hydroxypropanoyl)-4-oxohenicosanoic acid
PubChem CID21087817
Molecular FormulaC24H44O6
Molecular Weight428.61 g/mol
Exact Mass428.31
IUPAC Name2-hydroxy-2-(2-hydroxypropanoyl)-4-oxohenicosanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)CC(O)(C(=O)O)C(=O)C(C)O
InChIInChI=1S/C24H44O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(26)19-24(30,23(28)29)22(27)20(2)25/h20,25,30H,3-19H2,1-2H3,(H,28,29)
InChIKeyGWHPVDZBTMONLU-UHFFFAOYSA-N
XLogP4.97
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.61
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-hydroxy-2-(2-hydroxypropanoyl)-4-oxohenicosanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-hydroxypropanoyl)-4-oxohenicosanoic acid?
The IUPAC name of 2-hydroxy-2-(2-hydroxypropanoyl)-4-oxohenicosanoic acid (CID 21087817) is 2-hydroxy-2-(2-hydroxypropanoyl)-4-oxohenicosanoic acid.
What is the SMILES notation for 2-hydroxy-2-(2-hydroxypropanoyl)-4-oxohenicosanoic acid?
The canonical SMILES for 2-hydroxy-2-(2-hydroxypropanoyl)-4-oxohenicosanoic acid is CCCCCCCCCCCCCCCCCC(=O)CC(O)(C(=O)O)C(=O)C(C)O.
What is the InChIKey of 2-hydroxy-2-(2-hydroxypropanoyl)-4-oxohenicosanoic acid?
The InChIKey is GWHPVDZBTMONLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(26)19-24(30,23(28)29)22(27)20(2)25/h20,25,30H,3-19H2,1-2H3,(H,28,29).
What are the key properties of 2-hydroxy-2-(2-hydroxypropanoyl)-4-oxohenicosanoic acid?
2-hydroxy-2-(2-hydroxypropanoyl)-4-oxohenicosanoic acid has a molecular weight of 428.61 g/mol, XLogP of 4.97, 21 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-hydroxypropanoyl)-4-oxohenicosanoic acid is sourced from PubChem (CID 21087817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).