3-Deoxy-3-fluoro-D-mannose - ≥97% , CAS No.87764-46-3

CAS: 87764-46-3 Cat. No.: D343590 분자식: C₆H₁₁FO₅ 분자량: 182.15 PubChem CID: 55220202

GRADE & PURITY ≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

3-Deoxy-3-fluoro-D-mannose is shown to be metabolized and incorporated into the cell wall of|Saccharomyces cerevisiae|.

Specifications

사양 및 순도

≥97%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥97%

이름과 식별자

Pubchem Sid

488201723

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488201723

정식 스마일

C(C(C(C(C(C=O)O)F)O)O)O

IUPAC Name

(2R,3S,4R,5R)-3-fluoro-2,4,5,6-tetrahydroxyhexanal

InChIKey

RMHCJIQOFXULDL-KVTDHHQDSA-N

INCHI

1S/C6H11FO5/c7-5(3(10)1-8)6(12)4(11)2-9/h1,3-6,9-12H,2H2/t3-,4-,5-,6-/m1/s1

이성체 SMILES

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

PubChem CID

55220202

분자량

182.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Alpha-hydroxyaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Alpha-hydroxyaldehydes
• Alternative Parents: Secondary alcohols Fluorohydrins Polyols Primary alcohols Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-hydroxyaldehyde - Secondary alcohol - Halohydrin - Fluorohydrin - Polyol - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as alpha-hydroxyaldehydes. These are organic compounds containing an aldehyde substituted with a hydroxyl group on the adjacent carbon.
• 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

화학 및 물리적 특성

• 용해성: Soluble in Methanol and Water
• 녹는점(°C): 152-154° C
• 분자량: 182.150 g/mol
• XLogP3: -2.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 182.059 Da
• Monoisotopic Mass: 182.059 Da
• Topological Polar Surface Area: 98.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 142.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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