Span 80 - PharmPure™, USP , CAS No.1338-43-8

CAS: 1338-43-8 Cat. No.: S110840 Formule: C₂₄H₄₄O₆ Poids moléculaire: 428.61 Beilstein Registry Number: 8172514 Numéro CE: 215-665-4

GRADE & PURITY PharmPure™, USP

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

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Has a fatty odor and can disperse in water. Can dissolve in oils and general organic solvents. A good water in oil emulsifier. Gas chromatography stationary phase (maximum operating temperature 150 ℃, solvent methanol) is used to separate and analyze oxygen-containing compounds. Stabilizers. Thickener for food, cosmetics, and pharmaceuticals. Fiber lubricants and softeners used in the textile industry.

Specifications

Synonymes

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

Spécifications et pureté

PharmPure™, USP

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

PharmPure™, USP

Noms et identifiants

Pubchem Sid

508812877

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812877

Sourires canoniques

CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O

IUPAC Name

[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-octadec-9-enoate

InChIKey

NWGKJDSIEKMTRX-AAZCQSIUSA-N

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

Isomères SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)O)O

WGK Allemagne

1

RTECS

WG2932400

Poids moléculaire

428.61

Beilstein

8172514

Reaxy-Rn

6346073

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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

Data sources

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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive.
• Indice de réfraction: 1.48
• Point d'éclair (°F): >230℉
• Point d'éclair (°C): >110℃
• Poids moléculaire: 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 Ų
• 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