Neoagarobiose - ≥95% , CAS No.484-58-2

CAS: 484-58-2 Cat. No.: N1234901 PubChem CID: 164618

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: C1C2C(C(O1)C(C(O2)OC(C(C=O)O)C(C(CO)O)O)O)O
• IUPAC Name: (2R,3S,4S,5R)-3-[[(1S,3S,4S,5R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-2,4,5,6-tetrahydroxyhexanal
• InChIKey: ILLZAAKBNPACJI-UOFVWDQCSA-N
• INCHI: 1S/C12H20O10/c13-1-4(15)7(17)10(5(16)2-14)22-12-9(19)11-8(18)6(21-12)3-20-11/h2,4-13,15-19H,1,3H2/t4-,5+,6+,7+,8?,9+,10-,11-,12+/m1/s1
• Isomeri SMILES: C1[C@H]2C([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]([C@H](C=O)O)[C@H]([C@@H](CO)O)O)O)O
• CAS alternativo: 484-58-2
• PubChem CID: 164618
• Termini MeSH: agarobiose;neoagarobiose

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: Alkyl glycosides Disaccharides O-glycosyl compounds Fatty alcohols 1,4-dioxepanes Oxanes Alpha-hydroxyaldehydes Oxolanes Secondary alcohols Acetals Polyols Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Organic oxides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - Disaccharide - Glycosyl compound - O-glycosyl compound - Fatty alcohol - 1,4-dioxepane - Dioxepane - Oxane - Alpha-hydroxyaldehyde - Oxolane - Secondary alcohol - Polyol - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Ether - Acetal - Organic oxygen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Aldehyde - Alcohol - Organic oxide - Aliphatic heteropolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 324.280 g/mol
• XLogP3: -4.600
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 324.106 Da
• Monoisotopic Mass: 324.106 Da
• Topological Polar Surface Area: 166.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 379.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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