2-Hydroxy-1-(hydroxymethyl)ethyl ester

2-Hydroxy-1-(hydroxymethyl)ethyl ester
Compound Structure:
Synonyms: hexadecanoic acid 2-hydroxy-1-(hydroxymethyl) ethyl ester
Compound ID: NMPC-250
PubChem ID:

129853056
Molecular Formula: C19H38O4
Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCCC(O)O
InChIKey: SSNIGRPAHXCXDF-UHFFFAOYSA-N
About the compound:

Hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl) ethyl ester, also reported from Melia azedarach, has antioxidant, anti-inflammatory, and anthelmintic activities.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

330.5 g/mol

XLogP3-AA

6.6

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

18

Exact Mass

330.27700969 g/mol

Monoisotopic Mass

330.27700969 g/mol

Topological Polar Surface Area

66.8Ų

Heavy Atom Count

23

Formal Charge

0

Complexity

254

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes
Source Species: Artocarpus altilis.
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