D-Mannoheptulose - ≥98% , CAS No.3615-44-9

CAS: 3615-44-9 Cat. No.: D693510 分子式: C₇H₁₄O₇ 分子量: 210.18 Beilstein Registry Number: 1726433 EC番号: 222-795-5

GRADE & PURITY Moligand™, ≥98%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

概要

D-Mannoheptulose, a heptose, may be used as a hexokinase inhibitor (like glucosamine) in studies involving glucose response, glucose metabolism, glucose signaling and glucose sensing mechanisms. Analogs of D-mannoheptulose may be developed for use in noninvasive imaging of pancreatic beta cells.

Biological activity：D-Mannoheptulose is a 7-carbon keto sugar found in avocado. D-mannoheptulose is a specific inhibitor of D-glucose phosphorylation by hexokinase isoenzymes. D-Mannoheptulose can block insulin release and utilization of carbohydrate in rat. D-Mannoheptulose has various functions as anti-oxidants, anticancer effects and energy sources.This product is for research purposes only.

Specifications

仕様と純度

Moligand™, ≥98%

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥98%

製品の性質

pKa

pKa: 11.38 (Predicted)

名前と識別子

カノニカル・スマイル

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

IUPAC Name

(3S,4S,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-one

InChIKey

HSNZZMHEPUFJNZ-QMTIVRBISA-N

INCHI

1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2/t3-,5-,6-,7+/m1/s1

異性体SMILES

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

WGKドイツ

2

分子量

210.18

Beilstein

1726433

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Heptoses

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Heptoses
• Alternative Parents: Beta-hydroxy ketones Acyloins Alpha-hydroxy ketones Secondary alcohols Polyols Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Heptose monosaccharide - Beta-hydroxy ketone - Acyloin - Alpha-hydroxy ketone - Secondary alcohol - Ketone - 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 heptoses. These are monosaccharides in which the sugar unit is a seven-carbon containing moeity.
• External Descriptors: D-manno-heptulose

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: DMSO
• 感度: Light sensitive；Moisture sensitive；
• 屈折率: n20D1.64 (Predicted)
• 沸点（°C）: ~471.7° C at 760 mmHg (Predicted)
• 融点（°C）: 151 °C ((304 °F ))
• 分子量: 210.180 g/mol
• XLogP3: -3.900
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 210.074 Da
• Monoisotopic Mass: 210.074 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 183.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3615-44-9, the molecular formula is C7H14O7, and the molecular weight is 210.18 g/mol. InChIKey HSNZZMHEPUFJNZ-QMTIVRBISA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.