L-Tagatose - ≥98%(HPLC) , CAS No.17598-82-2

CAS: 17598-82-2 Cat. No.: S161423 Molecular Weight: 180.16 Beilstein Registry Number: 1(4)4415

GRADE & PURITY ≥98%(HPLC)

Synonyms

L-LYXO-2-hexulose | L-Tagatose | L-Tagatose [MI] | 41IX5VHE3I | CHEBI:134275 | Tagatose, L- | HY-W145570 | C21523 | UNII-41IX5VHE3I | Q27258441 | (3R,4R,5S)-1,3,4,5,6-Pentahydroxyhexan-2-one | L - tagatose | T2535 | D92607 | SCHEMBL9710274 | D-Psicose, >=

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

L-LYXO-2-hexulose | L-Tagatose | L-Tagatose [MI] | 41IX5VHE3I | CHEBI:134275 | Tagatose, L- | HY-W145570 | C21523 | UNII-41IX5VHE3I | Q27258441 | (3R, 4R, 5S)-1, 3, 4, 5, 6-Pentahydroxyhexan-2-one | L - tagatose | T2535 | D92607 | SCHEMBL9710274 | D-Psicose, >=

Specifications & Purity

≥98%(HPLC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488196997
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196997
• Canonical Smiles: C(C(C(C(C(=O)CO)O)O)O)O
• IUPAC Name: (3R,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one
• InChIKey: BJHIKXHVCXFQLS-LFRDXLMFSA-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
• Isomeric SMILES: C([C@@H]([C@H]([C@H](C(=O)CO)O)O)O)O
• Molecular Weight: 180.16
• Beilstein: 1(4)4415
• 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
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: Moisture sensitive
• Specific Rotation[α]: 6° (C=1,H2O)
• Melt Point(°C): 131 °C
• Molecular Weight: 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

References

1. Li Xue-Yong, Xu Meng-Qiu, Liu Hui, Zhou Qiang, Gao Jian, Zhang Ye-Wang.  (2021)  Preparation of combined cross-linked enzyme aggregates containing galactitol dehydrogenase and NADH oxidase for l-tagatose synthesis via in situ cofactor regeneration.  BIOPROCESS AND BIOSYSTEMS ENGINEERING,  45  (2): (353-364).  [PMID:34797400] [10.1007/s00449-021-02665-w]

2. Wen-Bin Su, Fei-Long Li, Xue-Yong Li, Xiao-Man Fan, Rui-Jiang Liu, Ye-Wang Zhang.  (2021)  Using galactitol dehydrogenase coupled with water-forming NADH oxidase for efficient enzymatic synthesis of L-tagatose.  New Biotechnology,      [PMID:33460816] [10.1016/j.nbt.2021.01.003]