Oleuropeic acid 8-O-glucoside , CAS No.865887-46-3

CAS: 865887-46-3 Cat. No.: O1270055 PubChem CID: 11152176

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC(C)(C1CCC(=CC1)C(=O)O)OC2C(C(C(C(O2)CO)O)O)O
• IUPAC Name: (4S)-4-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]cyclohexene-1-carboxylic acid
• InChIKey: RQEWNDZNKBUWDH-LREAXHOUSA-N
• INCHI: 1S/C16H26O8/c1-16(2,9-5-3-8(4-6-9)14(21)22)24-15-13(20)12(19)11(18)10(7-17)23-15/h3,9-13,15,17-20H,4-7H2,1-2H3,(H,21,22)/t9-,10-,11-,12+,13-,15+/m1/s1
• Isomeric SMILES: CC(C)([C@H]1CCC(=CC1)C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
• PubChem CID: 11152176

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acyl glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acyl glycosides of mono- and disaccharides
• Alternative Parents: Hexoses O-glycosyl compounds Monocyclic monoterpenoids Menthane monoterpenoids Oxanes Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Acetals Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Fatty acyl glycoside of mono- or disaccharide - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Monocyclic monoterpenoid - Monoterpenoid - P-menthane monoterpenoid - Monosaccharide - Oxane - Secondary alcohol - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Acetal - Polyol - Oxacycle - Organic oxide - Hydrocarbon derivative - Carbonyl group - Primary alcohol - Alcohol - Organic oxygen compound - Organooxygen compound - 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

Chemical and Physical Properties

• Molecular Weight: 346.370 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 346.163 Da
• Monoisotopic Mass: 346.163 Da
• Topological Polar Surface Area: 137.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 488.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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