Basic Description

Synonyms	AKOS024431316 \| CAS-1338-43-8 \| INS NO.494 \| Oleate de sorbitan [INN-French] \| MO 33F \| n-BUTYL HYDRAZINE OXALATE \| Sorbitan mono-oletae \| Kosteran O 1 \| S0060 \| Anhydrosorbitol monooleate \| Sorbitani oleas [INN-Latin] \| Armotan MO \| Dianhydromannitol mon
Specifications & Purity	viscosity 1000-2000 mPa.s (20 °C)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acid esters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty acid esters
Alternative Parents	Tetrahydrofurans Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Fatty acid ester - Tetrahydrofuran - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Carbonyl group - Organic oxide - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504765094
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504765094
IUPAC Name	[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-octadec-9-enoate
INCHI	InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3/b10-9-/t20-,21+,23+,24+/m0/s1
InChIKey	NWGKJDSIEKMTRX-AAZCQSIUSA-N
Smiles	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O
Isomeric SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)O)O
WGK Germany	1
RTECS	WG2932400
PubChem CID	9920342
Molecular Weight	428.61
Beilstein	8172514
Reaxy-Rn	6346073

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
G2306184	Certificate of Analysis	Jun 20, 2023	S431923
G2306183	Certificate of Analysis	Jun 20, 2023	S431923
G2306187	Certificate of Analysis	Jun 20, 2023	S431923
G2306185	Certificate of Analysis	Jun 20, 2023	S431923

Chemical and Physical Properties

Solubility	Soluble in ethanol at 50mg/mlMiscible with water, ethanol, isopropanol and ether. Insoluble in acetone.
Sensitivity	Moisture sensitive
Refractive Index	1.48
Flash Point(°F)	>110℃
Flash Point(°C)	>110℃
Molecular Weight	428.600 g/mol
XLogP3	6.000
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	19
Exact Mass	428.314 Da
Monoisotopic Mass	428.314 Da
Topological Polar Surface Area	96.200 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	453.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

Alternative Products

Citations of This Product

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Span 80 - viscosity 1000-2000 mPa.s (20 °C), high purity , CAS No.1338-43-8