beta-L-fucose 1-phosphate - ≥97% , CAS No.16562-59-7

CAS: 16562-59-7 Cat. No.: B1063150 PubChem CID: 65369

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1C(C(C(C(O1)OP(=O)(O)O)O)O)O
• IUPAC Name: [(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] dihydrogen phosphate
• InChIKey: PTVXQARCLQPGIR-SXUWKVJYSA-N
• INCHI: 1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3+,4+,5-,6+/m0/s1
• Isomeric SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O
• Alternate CAS: 16562-59-7,28553-11-9
• PubChem CID: 65369
• MeSH Entry Terms: beta-L-fucopyranosyl dicyclohexylammonium phosphate;fucopyranosyl phosphate;fucose 1-phosphate

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Monosaccharide phosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Monosaccharide phosphates
• Alternative Parents: Hexoses Monoalkyl phosphates Oxanes Secondary alcohols Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Hexose monosaccharide - Monosaccharide phosphate - Monoalkyl phosphate - Alkyl phosphate - Phosphoric acid ester - Oxane - Organic phosphoric acid derivative - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxide - Hydrocarbon derivative - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.
• External Descriptors: L-fucopyranose 1-phosphate

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: 244.140 g/mol
• XLogP3: -3.200
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 244.035 Da
• Monoisotopic Mass: 244.035 Da
• Topological Polar Surface Area: 137.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 264.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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