[(2S)-2,3-dihydroxypropyl] hexadecanoate

C19H38O4 — CID 3084463

IUPAC[(2S)-2,3-dihydroxypropyl] hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO
InChIInChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m0/s1
InChIKeyQHZLMUACJMDIAE-SFHVURJKSA-N
MW330.51 g/mol
LogP4.36
Rot. Bonds17

About [(2S)-2,3-dihydroxypropyl] hexadecanoate

[(2S)-2,3-dihydroxypropyl] hexadecanoate (PubChem CID 3084463) has the molecular formula C19H38O4 and a molecular weight of 330.51 g/mol. Its IUPAC name is [(2S)-2,3-dihydroxypropyl] hexadecanoate.

Molecular Properties

Compound Name[(2S)-2,3-dihydroxypropyl] hexadecanoate
PubChem CID3084463
Molecular FormulaC19H38O4
Molecular Weight330.51 g/mol
Exact Mass330.28
IUPAC Name[(2S)-2,3-dihydroxypropyl] hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO
InChIInChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m0/s1
InChIKeyQHZLMUACJMDIAE-SFHVURJKSA-N
XLogP4.36
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2S)-2,3-dihydroxypropyl] hexadecanoate 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 [(2S)-2,3-dihydroxypropyl] hexadecanoate?
The IUPAC name of [(2S)-2,3-dihydroxypropyl] hexadecanoate (CID 3084463) is [(2S)-2,3-dihydroxypropyl] hexadecanoate.
What is the SMILES notation for [(2S)-2,3-dihydroxypropyl] hexadecanoate?
The canonical SMILES for [(2S)-2,3-dihydroxypropyl] hexadecanoate is CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO.
What is the InChIKey of [(2S)-2,3-dihydroxypropyl] hexadecanoate?
The InChIKey is QHZLMUACJMDIAE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m0/s1.
What are the key properties of [(2S)-2,3-dihydroxypropyl] hexadecanoate?
[(2S)-2,3-dihydroxypropyl] hexadecanoate has a molecular weight of 330.51 g/mol, XLogP of 4.36, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydroxypropyl] hexadecanoate is sourced from PubChem (CID 3084463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).