Methyl 12-hydroxyoctadecanoate

Compound Structure:

Synonyms:

Methyl 12-hydroxyoctadecanoate; Octadecanoic acid, 12-hydroxy-, methyl ester; 12-Hydroxystearic acid, methyl ester; Paracin 1; Stearic acid, 12-hydroxy-, methyl ester; 12-Hydroxyoctadecanoic acid, methyl ester

Compound ID:

NMPC-1240

PubChem ID:

8840

Molecular Formula:

C19H38O3

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)OC)O

InChIKey:

RVWOWEQKPMPWMQ-UHFFFAOYSA-N

About the compound:

Properties:

Computed Properties

Property Name	Property Value
Molecular Weight	314.5 g/mol
XLogP3-AA	6.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	17
Exact Mass	314.28209507 g/mol
Monoisotopic Mass	314.28209507 g/mol
Topological Polar Surface Area	46.5Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	241
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Other Solid; Pellets or Large Crystals, Liquid
Melting Point	48 °C
Solubility	Insol In Water; Limited Solubility In Organic Solvents

Source: PubChem

Source Species:

Artocarpus altilis.

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