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Aliphatics

2-Hydroxyhexadecanoic acid

2-羟基十六烷酸

PHY-NP-12374 · Natural product research catalog

Catalog numberPHY-NP-12374
CAS number764-67-0
Molecular formulaC16H32O3
Molecular weight272.429 g/mol
Chemical classAliphatics
Main reported sourceAllamanda cathartica
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of 2-Hydroxyhexadecanoic acid

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Product information

2-Hydroxyhexadecanoic acid is listed in the Aliphatics section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name2-hydroxyhexadecanoic acid
SMILESCCCCCCCCCCCCCCC(C(=O)O)O
InChIKeyJGHSBPIZNUXPLA-UHFFFAOYSA-N
Subclass / scaffoldFatty Acids and Conjugates:Hydroxy fatty acids
PubChem CID92836

Computed properties

Exact mass (Da)272.2351Predicted LogP4.5231
Predicted TPSA (Ų)57.53H-bond donors2
H-bond acceptors2Rotatable bonds14

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification
Ring count0
Aromatic rings0
Fraction Csp³0.938
Synthetic accessibility score2.39
QED score0.457
Lipinski rule violations0
NPClassifier pathwayFatty acids
NPClassifier superclassFatty Acids and Conjugates
NPClassifier classHydroxy fatty acids
Parent SMILESCCCCCCCCCCCCCCC(O)C(=O)O
Parent formulaC16H32O3
Parent molecular weight272.429
Specified stereocenters0
Unspecified stereocenters1

Reported natural occurrence

Main reported sourceAllamanda cathartica
Reported source familiesAplysinidae; Suberitidae; Apocynaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references
LOTUS / Wikidata speciesAllamanda cathartica[1]; Aplysina fistularis[1]; Aplysina lacunosa[1]; Averrhoa bilimbi[1]; Smenospongia aurea[1]; Suberites massa[1]; potato[1]
All reported source familiesAplysinidae[2]; Suberitidae[2]; Apocynaceae[1]; Oxalidaceae[1]; Thorectidae[1]; Solanaceae[1]
Genus / family recordsPseudosuberites[1]
LOTUS species records7
LOTUS reference records5
COCONUT occurrence recordsAspergillus violaceus; Eschweilera coriacea; Eucalyptus cladocalyx; Peltodon longipes; Podocarpus elongata; Salvadora persica; Ulva australis; Ulva pertusa
COCONUT organism records8
COCONUT identifierCNP0239003.1

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

Request applicable documentation and handling information before ordering or use.