D-Xylulose - ≥98%(HPLC), 0.5M in Water , CAS No.551-84-8

CAS: 551-84-8 Cat. No.: S134209 분자식: C₅H₁₀O₅ 분자량: 150.13

GRADE & PURITY ≥98%(HPLC), 0.5M in Water

Synonyms

ZAQJHHRNXZUBTE-WUJLRWPWSA-N | AKOS027320628 | D-xylulose | HY-W010256 | xylulose | CHEBI:17140 | Threo-2-pentulose(9ci) | rel-(3S,4R)-1,3,4,5-Tetrahydroxypentan-2-one | THREO-2-PENTULOSE, DL- | XYLOKETOSE | threo-2-Pentulose | DL-Threo-2-Pentulose | D-thr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

D-xylulose is a precursor of the pentiol D-arabitol.

Specifications

동의어

ZAQJHHRNXZUBTE-WUJLRWPWSA-N | AKOS027320628 | D-xylulose | HY-W010256 | xylulose | CHEBI:17140 | Threo-2-pentulose(9ci) | rel-(3S,4R)-1,3,4,5-Tetrahydroxypentan-2-one | THREO-2-PENTULOSE, DL- | XYLOKETOSE | threo-2-Pentulose | DL-Threo-2-Pentulose | D-thr

사양 및 순도

≥98%(HPLC), 0.5M in Water

생화학 및 생리적 메커니즘

D-xylulose is a monosaccharide, converted from xylitol in the glucuronate pathway.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%(HPLC)

이름과 식별자

Pubchem Sid

528764025

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528764025

정식 스마일

C(C(C(C(=O)CO)O)O)O

IUPAC Name

(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one

InChIKey

ZAQJHHRNXZUBTE-WUJLRWPWSA-N

INCHI

1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m1/s1

이성체 SMILES

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

분자량

150.13

Reaxy-Rn

2041242

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041242&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Pentoses

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Pentoses
• Alternative Parents: Beta-hydroxy ketones Acyloins Alpha-hydroxy ketones Secondary alcohols Polyols Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Pentose monosaccharide - Beta-hydroxy ketone - Acyloin - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Polyol - Organic oxide - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Alcohol - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.
• External Descriptors: xylulose

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 150.130 g/mol
• XLogP3: -2.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 150.053 Da
• Monoisotopic Mass: 150.053 Da
• Topological Polar Surface Area: 98.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 113.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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