C22 Dihydroceramide - ≥98% , CAS No.147492-65-7

CAS: 147492-65-7 Cat. No.: C350531 분자식: C₄₀H₈₁NO₃ 분자량: 624.08

GRADE & PURITY ≥98%

Synonyms

N-behenoyldihydrosphingosine | N-[(1S,2R)-2-Hydroxy-1-(hydroxymethyl)-heptadecyl]-docosanamide | BP-28822 | CHEBI:67021 | N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]docosanamide | Cer(d18:0/22:0) | N-docosanoyldihydrosphingosine | SCHEMBL5180286 | DTXSID00415

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

N-behenoyldihydrosphingosine | N-[(1S,2R)-2-Hydroxy-1-(hydroxymethyl)-heptadecyl]-docosanamide | BP-28822 | CHEBI:67021 | N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]docosanamide | Cer(d18:0/22:0) | N-docosanoyldihydrosphingosine | SCHEMBL5180286 | DTXSID00415

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

정식 스마일

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(CCCCCCCCCCCCCCC)O

IUPAC Name

N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]docosanamide

InChIKey

SXPRAKSDHOEHIG-ZESVVUHVSA-N

INCHI

1S/C40H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h38-39,42-43H,3-37H2,1-2H3,(H,41,44)/t38-,39+/m0/s1

이성체 SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O

분자량

624.08

Reaxy-Rn

11734126

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11734126&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Sphingolipids
      • Subclass Ceramides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Sphingolipids
• Subclass: Ceramides
• Intermediate Tree Nodes: Not available
• Direct Parent: Ceramides
• Alternative Parents: N-acyl amines Secondary carboxylic acid amides Secondary alcohols Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ceramide - Fatty amide - N-acyl-amine - Fatty acyl - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as ceramides. These are lipid molecules containing a sphingosine in which the amine group is linked to a fatty acid.
• External Descriptors: N-acylsphinganines (dihydroceramides)

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

화학 및 물리적 특성

• 용해성: Soluble in 5 mg/0.5 mL MeOH
• 녹는점(°C): 103-105ºC
• 분자량: 624.100 g/mol
• XLogP3: 16.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 37
• Exact Mass: 623.622 Da
• Monoisotopic Mass: 623.622 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 555.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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