(3R)-3-hydroxyicosanoic acid

C20H40O3 — CID 5312808

IUPAC(3R)-3-hydroxyicosanoic acid
SMILESCCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O
InChIInChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h19,21H,2-18H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyXXKHCFPQYSMGCI-LJQANCHMSA-N
MW328.54 g/mol
LogP6.08
Rot. Bonds18

About (3R)-3-hydroxyicosanoic acid

(3R)-3-hydroxyicosanoic acid (PubChem CID 5312808) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is (3R)-3-hydroxyicosanoic acid.

Molecular Properties

Compound Name(3R)-3-hydroxyicosanoic acid
PubChem CID5312808
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Name(3R)-3-hydroxyicosanoic acid
SMILESCCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O
InChIInChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h19,21H,2-18H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyXXKHCFPQYSMGCI-LJQANCHMSA-N
XLogP6.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-3-hydroxyicosanoic 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 (3R)-3-hydroxyicosanoic acid?
The IUPAC name of (3R)-3-hydroxyicosanoic acid (CID 5312808) is (3R)-3-hydroxyicosanoic acid.
What is the SMILES notation for (3R)-3-hydroxyicosanoic acid?
The canonical SMILES for (3R)-3-hydroxyicosanoic acid is CCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O.
What is the InChIKey of (3R)-3-hydroxyicosanoic acid?
The InChIKey is XXKHCFPQYSMGCI-LJQANCHMSA-N. The full InChI is InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h19,21H,2-18H2,1H3,(H,22,23)/t19-/m1/s1.
What are the key properties of (3R)-3-hydroxyicosanoic acid?
(3R)-3-hydroxyicosanoic acid has a molecular weight of 328.54 g/mol, XLogP of 6.08, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxyicosanoic acid is sourced from PubChem (CID 5312808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).