Palmitic acid-d31 - Moligand™, ≥95 atom% D,≥98% , CAS No.39756-30-4

CAS: 39756-30-4 Cat. No.: P346928 Peso molecular: 287.62 Beilstein Registry Number: 60748(unlabeled) Número EC: 627-724-5

GRADE & PURITY Moligand™, ≥95 atom% D,≥98%

Synonyms

(?H??)hexadecanoic acid | D98260 | ((2)H??)HEXADECANOIC ACID | Palmitic acid-d31 | AS-57625 | 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoic acid | Palmitic-d31 acid, analytical standard | Pal

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Sinónimos

(?H??)hexadecanoic acid | D98260 | ((2)H??)HEXADECANOIC ACID | Palmitic acid-d31 | AS-57625 | 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 11, 11, 12, 12, 13, 13, 14, 14, 15, 15, 16, 16, 16-hentriacontadeuteriohexadecanoic acid | Palmitic-d31 acid, analytical standard | Pal

Especificaciones y pureza

Moligand™, ≥95 atom% D, ≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Desiccated

Enviado en

Normal

Grado

Moligand™

Tipo de acción

ACTIVATOR

Pureza

≥95 atom% D, ≥98%

Nombres e identificadores

• Pubchem Sid: 488199153
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199153
• Sonrisas canónicas: CCCCCCCCCCCCCCCC(=O)O
• IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoic acid
• InChIKey: IPCSVZSSVZVIGE-SAQPIRCFSA-N
• INCHI: 1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2
• Isómeros SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O
• WGK Alemania: 3
• RTECS: RT4550000 (unlabeled)
• CAS alternativo: 57-10-3(unlabeled)
• Peso molecular: 287.62
• Beilstein: 60748(unlabeled)
• Reaxy-Rn: 607489
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607489&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in chloroform (100 mg/ml), DMSO (~20 mg/ml), ethanol (~20 mg/ml), and DMF (~20 mg/ml). Insoluble in water. (unlabeled)
• Sensibilidad: Hygroscopic
• Punto de fusión (°C): 61-64° C
• Peso molecular: 287.610 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 287.435 Da
• Monoisotopic Mass: 287.435 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 178.000
• Isotope Atom Count: 31
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1