L-Psicose - ≥98%(HPLC) , CAS No.16354-64-6

CAS: 16354-64-6 Cat. No.: S161070 分子式: C₆H₁₂O₆ 分子量: 180.16 Beilstein Registry Number: 1(4)4401

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

同義語

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-

仕様と純度

≥98%(HPLC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(HPLC)

名前と識別子

カノニカル・スマイル

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

異性体SMILES

C([C@@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O

分子量

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
    • 分類 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in water
• 感度: Hygroscopic
• 比旋光度［α］: -4° (C=1,H2O)
• 融点（°C）: 113 °C
• 分子量: 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