2,3-dihydroxypropanoyl hexadecanoate

C19H36O5 — CID 23617476

IUPAC2,3-dihydroxypropanoyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OC(=O)C(O)CO
InChIInChI=1S/C19H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)24-19(23)17(21)16-20/h17,20-21H,2-16H2,1H3
InChIKeyOLMVJNKCKWEVJO-UHFFFAOYSA-N
MW344.49 g/mol
LogP3.89
Rot. Bonds16

About 2,3-dihydroxypropanoyl hexadecanoate

2,3-dihydroxypropanoyl hexadecanoate (PubChem CID 23617476) has the molecular formula C19H36O5 and a molecular weight of 344.49 g/mol. Its IUPAC name is 2,3-dihydroxypropanoyl hexadecanoate.

Molecular Properties

Compound Name2,3-dihydroxypropanoyl hexadecanoate
PubChem CID23617476
Molecular FormulaC19H36O5
Molecular Weight344.49 g/mol
Exact Mass344.26
IUPAC Name2,3-dihydroxypropanoyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OC(=O)C(O)CO
InChIInChI=1S/C19H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)24-19(23)17(21)16-20/h17,20-21H,2-16H2,1H3
InChIKeyOLMVJNKCKWEVJO-UHFFFAOYSA-N
XLogP3.89
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropanoyl hexadecanoate?
The IUPAC name of 2,3-dihydroxypropanoyl hexadecanoate (CID 23617476) is 2,3-dihydroxypropanoyl hexadecanoate.
What is the SMILES notation for 2,3-dihydroxypropanoyl hexadecanoate?
The canonical SMILES for 2,3-dihydroxypropanoyl hexadecanoate is CCCCCCCCCCCCCCCC(=O)OC(=O)C(O)CO.
What is the InChIKey of 2,3-dihydroxypropanoyl hexadecanoate?
The InChIKey is OLMVJNKCKWEVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)24-19(23)17(21)16-20/h17,20-21H,2-16H2,1H3.
What are the key properties of 2,3-dihydroxypropanoyl hexadecanoate?
2,3-dihydroxypropanoyl hexadecanoate has a molecular weight of 344.49 g/mol, XLogP of 3.89, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropanoyl hexadecanoate is sourced from PubChem (CID 23617476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).