GreenAPG IC 10 - 50% in water , CAS No.54549-25-6

CAS: 54549-25-6 Cat. No.: C690905 Numéro CE: 259-218-1

GRADE & PURITY 50% in water

Synonyms

(3R,4S,5S,6R)-2-(Decyloxy)-6-(hydroxymethyl)tetrahydro-2H-Pyran-3,4,5-triol | (3R,4S,5S,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol | Decyl glucoside | Decyl D-glucopyranoside | D-Glucopyranoside, decyl | Decyl D-glucoside

Storage

Room temperature

Specifications

Synonymes

(3R,4S,5S,6R)-2-(Decyloxy)-6-(hydroxymethyl)tetrahydro-2H-Pyran-3,4,5-triol | (3R,4S,5S,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol | Decyl glucoside | Decyl D-glucopyranoside | D-Glucopyranoside, decyl | Decyl D-glucoside

Spécifications et pureté

50% in water

Conditions de stockage de stockage

Room temperature

Noms et identifiants

Pubchem Sid

528764766

Sourires canoniques

CCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O

IUPAC Name

(3R,4S,5S,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol

InChIKey

JDRSMPFHFNXQRB-IWQYDBTJSA-N

INCHI

1S/C16H32O6/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16/h12-20H,2-11H2,1H3/t12-,13-,14+,15-,16?/m1/s1

Isomères SMILES

CCCCCCCCCCOC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

CAS alternatif

141464-42-8,54549-25-6,68515-73-1；141464-42-8

Termes d'entrée MeSH

decyl glucoside

Reaxy-Rn

35664303

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35664303&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acyl glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acyl glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acyl glycosides of mono- and disaccharides
• Alternative Parents: Hexoses Alkyl glycosides O-glycosyl compounds Oxanes Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Monosaccharide - Oxane - Secondary alcohol - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. These are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.
• 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

• Poids moléculaire: 320.420 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 320.22 Da
• Monoisotopic Mass: 320.22 Da
• Topological Polar Surface Area: 99.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 275.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1