GRADE & PURITY ≥98%(HPLC)

Synonyms

L-Psicose | (3S,4S,5S)-1,3,4,5,6-Pentahydroxyhexan-2-one | MFCD09951919 | P1778 | HY-130687 | DTXSID30474831 | UNII-47DBT57A5J | D92154 | SCHEMBL16944032 | L-allulose | CHEBI:145026 | Psicose, L- | BJHIKXHVCXFQLS-ZXEDONINSA-N | 47DBT57A5J | Q27259045 | L-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

L-Psicose | (3S, 4S, 5S)-1, 3, 4, 5, 6-Pentahydroxyhexan-2-one | MFCD09951919 | P1778 | HY-130687 | DTXSID30474831 | UNII-47DBT57A5J | D92154 | SCHEMBL16944032 | L-allulose | CHEBI:145026 | Psicose, L- | BJHIKXHVCXFQLS-ZXEDONINSA-N | 47DBT57A5J | Q27259045 | L-

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: C(C(C(C(C(=O)CO)O)O)O)O
• IUPAC Name: (3S,4S,5S)-1,3,4,5,6-pentahydroxyhexan-2-one
• InChIKey: BJHIKXHVCXFQLS-ZXEDONINSA-N
• INCHI: 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m0/s1
• Isómeros SMILES: C([C@@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O
• Peso molecular: 180.16
• Beilstein: 1(4)4401
• Reaxy-Rn: 2207947
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207947&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Monosaccharides
• Alternative Parents: Beta-hydroxy ketones Acyloins Alpha-hydroxy ketones Secondary alcohols 1,2-diols Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monosaccharide - Beta-hydroxy ketone - Acyloin - Alpha-hydroxy ketone - Secondary alcohol - Ketone - 1,2-diol - Polyol - Organic oxide - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as monosaccharides. These are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Sensibilidad: Hygroscopic
• Rotación específica [α]: -4° (C=1,H2O)
• Punto de fusión (°C): 113 °C
• Peso molecular: 180.160 g/mol
• XLogP3: -3.200
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 180.063 Da
• Monoisotopic Mass: 180.063 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 147.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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