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

CAS: 39756-30-4 Cat. No.: P346928 Formule: C₁₆D₃₁HO₂ Poids moléculaire: 287.62 Beilstein Registry Number: 60748(unlabeled) Numéro CE: 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

Synonymes

(?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

Spécifications et pureté

Moligand™, ≥95 atom% D,≥98%

Conditions de stockage de stockage

Room temperature,Argon charged,Desiccated

Expédié en

Normal

Grade

Moligand™

Type d'action

ACTIVATOR

Pureté

≥95 atom% D,≥98%

Noms et identifiants

Pubchem Sid

488199153

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199153

Sourires canoniques

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

Isomères 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 Allemagne

3

RTECS

RT4550000 (unlabeled)

CAS alternatif

57-10-3(unlabeled)

Poids moléculaire

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
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

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

Propriétés chimiques et physiques

• Solubilité: Soluble in chloroform (100 mg/ml), DMSO (~20 mg/ml), ethanol (~20 mg/ml), and DMF (~20 mg/ml). Insoluble in water. (unlabeled)
• Sensibilité: Hygroscopic
• Point de fusion (°C): 61-64° C
• Poids moléculaire: 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