ChemFOnt: Showing chemical card for 2-hydroxyoctadecanimidic acid (CFc000151425)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 23:34:37 UTC

Chemfont ID

CFc000151425

Molecule Identification

Common Name

2-hydroxyoctadecanimidic acid

Definition

30554-87-1 belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn. 30554-87-1 is a very strong basic compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₈H₃₇NO₂

Average Molecular Weight

299.499

Monoisotopic Molecular Weight

299.282429435

IUPAC Name

2-hydroxyoctadecanimidic acid

Traditional Name

2-hydroxyoctadecanimidic acid

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCCC(O)C(O)=N

InChI Identifier

InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(20)18(19)21/h17,20H,2-16H2,1H3,(H2,19,21)

InChI Key

VYWRBUBXZALATG-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Monosaccharides

Alternative Parents

Substituents

Fatty acyl
Monosaccharide
Fatty amide
Secondary alcohol
Primary carboxylic acid amide
Carboxamide group
Carboxylic acid derivative
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organonitrogen compound
Carbonyl group
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.00062 g/L	ALOGPS
logP	6.38	ALOGPS
logP	3.64	ChemAxon
logS	-5.7	ALOGPS
pKa (Strongest Acidic)	-2.4	ChemAxon
pKa (Strongest Basic)	13.02	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	64.31 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	100.54 m³·mol⁻¹	ChemAxon
Polarizability	39.71 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0171017

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14598043

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for 2-hydroxyoctadecanimidic acid (CFc000151425)

MOL for CFc000151425 (2-hydroxyoctadecanimidic acid)

3D MOL for CFc000151425 (2-hydroxyoctadecanimidic acid)

3D SDF for CFc000151425 (2-hydroxyoctadecanimidic acid)

3D-SDF for CFc000151425 (2-hydroxyoctadecanimidic acid)

PDB for CFc000151425 (2-hydroxyoctadecanimidic acid)

3D PDB for CFc000151425 (2-hydroxyoctadecanimidic acid)

SMILES for CFc000151425 (2-hydroxyoctadecanimidic acid)

INCHI for CFc000151425 (2-hydroxyoctadecanimidic acid)

Structure for CFc000151425 (2-hydroxyoctadecanimidic acid)

3D Structure for CFc000151425 (2-hydroxyoctadecanimidic acid)