D-Mannitol - UltraBio™, ≥99%(HPLC), sum of enantiomers , CAS No.69-65-8

CAS: 69-65-8 Cat. No.: D755651 分子式: C₆H₁₄O₆ 分子量: 182.17 Beilstein Registry Number: 1721898 EC番号: 200-711-8

グレード＆純度 UltraBio™, ≥99%(HPLC), sum of enantiomers

Storage

Room temperature

Shipped In

Normal

概要

D-Mannitol is used as an osmolyte and transport facilitator in a variety of biological in vivo and in vitro applications, such as improvement of blood-brain barrier transport and hyperosmolar therapy. D-Mannitol is used as a substrate to identify, differentiate and characterized enzymes such as mannitol dehydrogenase(s). D-Mannitol is used in identify mannitol metabolizing bacteria.

仕様

仕様と純度

UltraBio™, ≥99%(HPLC), sum of enantiomers

生化学的・生理学的メカニズム

A sugar alcohol sweet tastant. Used in sweetness inhibition studies.

保管条件

Room temperature

入荷

Normal

等級

UltraBio™

純度

≥99%(HPLC)

名前と識別子

PH

5.0-6.5 (25 °C, 1 M in H 2 O)

カノニカル・スマイル

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

IUPAC Name

(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol

InChIKey

FBPFZTCFMRRESA-KVTDHHQDSA-N

INCHI

1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1

異性体SMILES

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

WGKドイツ

2

RTECS

OP2060000

分子量

182.17

Beilstein

1721898

Reaxy-Rn

8496933

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8496933&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: Sugar alcohols
• Alternative Parents: Monosaccharides Secondary alcohols Polyols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sugar alcohol - Monosaccharide - Secondary alcohol - Polyol - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group.
• External Descriptors: mannitol

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: H 2 O: 1 M at 20 °C, clear, colorless
• 比旋光度［α］: 23° (C=10,Sodium tetraborate solution)
• 融点（°C）: 167-170°C
• 分子量: 182.170 g/mol
• XLogP3: -3.100
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 182.079 Da
• Monoisotopic Mass: 182.079 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 105.000
• 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